ZINC26:Databases: Difference between revisions

Latest revision as of 19:45, 25 September 2026

Here are the databases currently included in ZINC26, as well as which are included in batch searches.

Purchasable Catalogs in ZINC26

Catalogs included in Batch search

Batch Category	# files	size	Catalogs
Purchasable	51	300B	Enamine REAL, ChemSpace FS5, WuXi GalaXi,
Bioactive	3	1M	Drugbank, ChEMBL 1uM, Coconut, other NP

BB Catalog Detail

Vendor	Catalog	size
Chem-Space	In-Stock	500K
MolPort	In-Stock	2M
Enamine	FastMADE	120M
Enamine	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

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?

Cluster_7:Libraries

Back to ZINC26:Help

@@ 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.
+== Purchasable Catalogs in ZINC26 ==
+[[ZINC26:Purchasable Databases]]
-== Contents of ZINC26 ==
+[[ZINC26:Bioactive Databases]]
+== Catalogs included in Batch search ==
 {| 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.
-|-
-| 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
+| Purchasable || 51 || 300B || Enamine REAL, ChemSpace FS5, WuXi GalaXi,
 |-
-| Various || In Stock ||  20M || needs updating || comments
+| Bioactive || 3 || 1M || Drugbank, ChEMBL 1uM, Coconut, other NP
 |-
-| Total || 5.003 B ||
 |}
-== When you search ZINC26 in batch, you search the following ==
+== BB Catalog Detail ==
 {| class="wikitable"
@@ Line 29: / Line 24: @@
 ! Vendor !! Catalog !! size !! status !! Date
 |-
-| Enamine || REAL||  72B  || 33.8M (14.7M unique) || "only" 1 B "squeaky clean" molecules.
+| Chem-Space|| In-Stock ||  500K  ||
 |-
-| Chem-Space || Freedom Space 5 ||  30B || 248M (105M unique)
+| MolPort  || In-Stock ||  2M ||
 |-
-| WuXi ||  GalaXi ||  29B || must check || July 2026
+| Enamine||  FastMADE ||  120M ||
 |-
-| OnePot ||  20M ||  20B || expecting update this week || comments
+| Enamine ||  MADE |  1.35B ||
 |-
-| XtalPi || VAST ||  20B || good || comments
+| - ||  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"
 |-
-| Various || In Stock ||  20M || needs updating || comments
+! Vendor !! Catalog !! size !! status !! Date
 |-
-| Total || 5.003 B ||
+| 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?
 [[Cluster_7:Libraries]]
 Back to [[ZINC26:Help]]
 [[Category:ZINC26]]