ZINC26: Difference between revisions

From DISI
Jump to navigation Jump to search
(zxcv)
 
m (asd)
 
Line 7: Line 7:
== 1. Purch - purchasable molecules ==  
== 1. Purch - purchasable molecules ==  


Catalogs of purchasable molecules are organized as follows:
* cc - chemistry commons. These can be made from commercially availabile building blocks
* ise - in stock economical (5 of these so far)
* iso - in stock other (192 of these)
* ode - on demand economical (6 of these, working)
* odo - on demand other (41 of these)
* oth - other catalogs (5 of these)


== 2. Bioact - bioactive molecules from public sources ==
== 2. Bioact - bioactive molecules from public sources ==
There are three kinds of bioactives: invitro, invivo and natural




== 3. Purchbioact - purchasable bioactives and their close analogs ==  
== 3. Purchbioact - purchasable bioactives and their close analogs ==  
* for example  Purchbioact/invivo/approve/fda1/oth/DB00250.ambint.src.txt.anon.map.txt
is FDA approved molecules, as located within the "other" catalog Ambint.  Here, the molecule DB00250.


== 4. Covalent ==  
== 4. Covalent ==  

Latest revision as of 20:19, 26 March 2026

This is the main page for ZINC26, the new version that was started in spring of 2026.

The new database is organized around a set of principles.

ZINC26 is organized into three main areas.

1. Purch - purchasable molecules

Catalogs of purchasable molecules are organized as follows:

  • cc - chemistry commons. These can be made from commercially availabile building blocks
  • ise - in stock economical (5 of these so far)
  • iso - in stock other (192 of these)
  • ode - on demand economical (6 of these, working)
  • odo - on demand other (41 of these)
  • oth - other catalogs (5 of these)

2. Bioact - bioactive molecules from public sources

There are three kinds of bioactives: invitro, invivo and natural


3. Purchbioact - purchasable bioactives and their close analogs

  • for example Purchbioact/invivo/approve/fda1/oth/DB00250.ambint.src.txt.anon.map.txt

is FDA approved molecules, as located within the "other" catalog Ambint. Here, the molecule DB00250.


4. Covalent

5. Building blocks

There are also

  • 2D searching tools
  • 3D databases for docking in ready-to-download formats