ZINC26:Databases - Revision history

Frodo: /* Catalogs included in Batch search */ asdf

2026-07-24T18:34:18Z

Catalogs included in Batch search: asdf

← Older revision		Revision as of 18:34, 24 July 2026
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	\|-		\|-
	\|}		\|}

			== In-Stock Catalog detail ==

			We have 100s of vendors.

			{\| class="wikitable"
			\|-
			! Vendor !! Catalog !! size !! status !! Date
			\|-
			\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| see table below
			\|-
			\| Various \|\| Covalent \|\| 20M \|\| needs updating \|\| see table below
			\|-
			\| Various \|\| BB \|\| 20M \|\| needs updating \|\| see table below
			\|-
			\| - \|\| Total \|\| 100B \|\|
			\|}


			== BB Catalog Detail ==

			{\| class="wikitable"
			\|-
			! Vendor !! Catalog !! size !! status !! Date
			\|-
			\| Chem-Space\|\| In-Stock \|\| 500K \|\|
			\|-
			\| MolPort \|\| In-Stock \|\| 2M \|\|
			\|-
			\| Enamine\|\| FastMADE \|\| 120M \|\|
			\|-
			\| Enamine \|\| MADE \| 1.35B \|\|
			\|-
			\| - \|\| Total \|\| 100B \|\|
			\|}
			Question: how many BB are there that are not covered by the above: Molport+ChemSpace+MADE ?
			We don't know, but we will find out.

			== Covalent Catalog Detail ==

			{\| class="wikitable"
			\|-
			! Vendor !! Catalog !! size !! status !! Date
			\|-
			\| Enamine \|\| Covalent \|\| 1B
			\|-
			\| - \|\| Total \|\| 1B \|\|
			\|}
			So far, Enamine is the only reliable covalent vendor. There are in stock and on demand compounds.
			Let's add any other covalent vendors here, but warhead. Maybe we can fish them out of commercially available compounds?

2026-07-24T18:28:38Z

Purchasable Catalogs in ZINC26: asdf

← Older revision		Revision as of 18:28, 24 July 2026
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	\| XtalPi \|\| VAST \|\| 20B \|\| good \|\| comments		\| XtalPi \|\| VAST \|\| 20B \|\| good \|\| comments
	\|-		\|-
	\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| ~~comments~~		\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| see table below
			\|-
			\| Various \|\| Covalent \|\| 20M \|\| needs updating \|\| see table below
			\|-
			\| Various \|\| BB \|\| 20M \|\| needs updating \|\| see table below
	\|-		\|-
	\| - \|\| Total \|\| 100B \|\|		\| - \|\| Total \|\| 100B \|\|

2026-07-24T18:27:28Z

Purchasable Catalogs in ZINC26: asdf

← Older revision		Revision as of 18:27, 24 July 2026
Line 19:		Line 19:
	\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| comments		\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| comments
	\|-		\|-
	\| Total \|\| ~~5.003 B~~ \|\|		\| - \|\| Total \|\| 100B \|\|
	\|}		\|}


	== Annotated Catalogs in ZINC26 ==		== Annotated Catalogs in ZINC26 ==

2026-07-24T18:26:22Z

Catalogs included in Batch search: asdf

← Older revision		Revision as of 18:26, 24 July 2026
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	{\| class="wikitable"		{\| class="wikitable"
	\|-		\|-
	! ~~Vendor~~ !! ~~Catalog~~ !! size !! ~~status !! Date~~		! Batch Category !! # files !! size !! Catalogs
	\|-		\|-
	\| ~~Enamine~~ \|\| ~~REAL~~\|\| ~~72B~~ \|\| ~~33.8M (14.7M unique) \|\| "only" 1 B "squeaky clean" molecules.~~		\| Purchasable \|\| 51 \|\| 300B \|\| Enamine REAL, ChemSpace FS5, WuXi GalaXi,
	\|-		\|-
	\| ~~Chem-Space~~ \|\| ~~Freedom Space 5~~ \|\| ~~30B~~ \|\| ~~248M (105M unique)~~		\| Bioactive \|\| 3 \|\| 1M \|\| Drugbank, ChEMBL 1uM, Coconut, other NP
	\|-		\|-
	~~\| WuXi \|\| GalaXi \|\| 29B \|\| must check \|\| July 2026~~
	\|-
	~~\| OnePot \|\| 20M \|\| 20B \|\| expecting update this week \|\| comments~~
	\|-
	~~\| XtalPi \|\| VAST \|\| 20B \|\| good \|\| comments~~
	\|-
	~~\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| comments~~
	\|-
	~~\| Total \|\| 5.003 B \|\|~~
	\|}		\|}






	[[Cluster_7:Libraries]]		[[Cluster_7:Libraries]]




	Back to [[ZINC26:Help]]		Back to [[ZINC26:Help]]
	[[Category:ZINC26]]		[[Category:ZINC26]]

2026-07-24T18:23:44Z

asdf

← Older revision		Revision as of 18:23, 24 July 2026
Line 1:		Line 1:
	Here are the databases currently included in ZINC26, as well as which are included in batch searches.		Here are the databases currently included in ZINC26, as well as which are included in batch searches.

			== Purchasable Catalogs in ZINC26 ==
	== ~~Status of~~ Purchasable Catalogs in ZINC26 ==

	{\| class="wikitable"		{\| class="wikitable"
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	== ~~Status of~~ Annotated Catalogs in ZINC26 ==		== Annotated Catalogs in ZINC26 ==

	{\| class="wikitable"		{\| class="wikitable"
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	\|}		\|}

	== ~~When you search ZINC26~~ in ~~batch, you~~ search ~~the following~~ ==		== Catalogs included in Batch search ==

	{\| class="wikitable"		{\| class="wikitable"

2026-07-24T18:22:56Z

asdf

@@ Line 1: / Line 1: @@
-Here are the databases currently in ZINC26, and their status.
+Here are the databases currently included in ZINC26, as well as which are included in batch searches.
-== Contents of ZINC26 ==
+== Status of Purchasable Catalogs in ZINC26 ==
 {| class="wikitable"
@@ Line 21: / Line 21: @@
 |-
 | Total || 5.003 B ||
 |}

2026-07-24T17:15:51Z

asdf

← Older revision		Revision as of 17:15, 24 July 2026
Line 1:		Line 1:
	Here are the databases currently in ZINC26, and their status.		Here are the databases currently in ZINC26, and their status.


			== Contents of ZINC26 ==

			{\| class="wikitable"
			\|-
			! Vendor !! Catalog !! size !! status !! Date
			\|-
			\| Enamine \|\| REAL\|\| 72B \|\| 33.8M (14.7M unique) \|\| "only" 1 B "squeaky clean" molecules.
			\|-
			\| Chem-Space \|\| Freedom Space 5 \|\| 30B \|\| 248M (105M unique)
			\|-
			\| WuXi \|\| GalaXi \|\| 29B \|\| must check \|\| July 2026
			\|-
			\| OnePot \|\| 20M \|\| 20B \|\| expecting update this week \|\| comments
			\|-
			\| XtalPi \|\| VAST \|\| 20B \|\| good \|\| comments
			\|-
			\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| comments
			\|-
			\| Total \|\| 5.003 B \|\|
			\|}

			== When you search ZINC26 in batch, you search the following ==

			{\| class="wikitable"
			\|-
			! Vendor !! Catalog !! size !! status !! Date
			\|-
			\| Enamine \|\| REAL\|\| 72B \|\| 33.8M (14.7M unique) \|\| "only" 1 B "squeaky clean" molecules.
			\|-
			\| Chem-Space \|\| Freedom Space 5 \|\| 30B \|\| 248M (105M unique)
			\|-
			\| WuXi \|\| GalaXi \|\| 29B \|\| must check \|\| July 2026
			\|-
			\| OnePot \|\| 20M \|\| 20B \|\| expecting update this week \|\| comments
			\|-
			\| XtalPi \|\| VAST \|\| 20B \|\| good \|\| comments
			\|-
			\| Various \|\| In Stock \|\| 20M \|\| needs updating \|\| comments
			\|-
			\| Total \|\| 5.003 B \|\|
			\|}

2026-07-24T17:11:06Z

asdf

New page

Here are the databases currently in ZINC26, and their status.

[[Cluster_7:Libraries]]

Back to [[ZINC26:Help]]
[[Category:ZINC26]]