| These databases have been provided to us under collaborative agreements with each respective vendor. Molecules in the original catalogs may not appear in ZINC because they do not pass our filters, or they have not been processed yet. ZINC may be used free of charge for research by individuals and institutions. Whereas you are free to share the results of a ZINC search or a screen of molecules from ZINC, you may not redistribute major portions of ZINC without the express written permission of John Irwin. Additional usage notes may be found below the table. |
| Logo (click to browse ZINC) | Vendor Information Name | Catalog Information | ZINC Information Loaded, | Diversity Information Cluster represent- |
|---|---|---|---|---|
 | AmpC ligands
p.phone f.fax |
21 2008.7 | 21
 0 0 NYA |
90%:16 80%:11 70%:8 60%:6 |
 | AmpC non-binders
p.phone f.fax |
84 2008.7 | 119
0 17 NYA |
90%:78 80%:74 70%:64 60%:54 |
 | BindingDB.org
none p.not for sale f.not for sale |
22798 2008.6 | 19983
1634 202 NYA |
90%:6880 80%:3467 70%:1992 60%:1122 |
 | CCP W191G binders
not for sale p.phone f.not for sale |
43 2008.7 | 56
0 3 NYA |
90%:47 80%:31 70%:25 60%:20 |
 | CCP W191G non-binders
not for sale p.phone f.not for sale |
17 2008.7 | 24
0 1 NYA |
90%:21 80%:21 70%:18 60%:18 |
 | Chembl02
no email p.no phone f.no fax |
0 2009.12.17 | 553290
0 9834 NYA |
90%:156376 80%:70220 70%:30491 60%:10610 |
 | DrugBank-experimental
not for sale p.phone f.not for sale |
3205 2008.5 | 4747
621 295 NYA |
90%:1708 80%:1314 70%:978 60%:707 |
 | DrugBank-nutriceuticals
not for sale p.phone f.not for sale |
61 2008.5 | 78
3 4 NYA |
90%:45 80%:35 70%:31 60%:25 |
 | DrugBank-small molecules
not for sale p.phone f.not for sale |
1348 2008.5 | 1456
253 111 NYA |
90%:875 80%:741 70%:612 60%:461 |
 | FDA-approved drugs (via DSSTOX)
no email p.N/A f.N/A |
1217 2005-03-01 | 3180
28 507 NYA |
90%:976 80%:791 70%:643 60%:480 |
 | Human Metabolome Database
not for sale p.phone f.not for sale |
7886 2008.5 | 5965
4280 338 NYA |
90%:1421 80%:802 70%:468 60%:282 |
 | L99A binders
not for sale p.phone f.not for sale |
74 2008.7 | 71
43 2 NYA |
90%:51 80%:45 70%:34 60%:29 |
 | L99A non-binders
not for sale p.phone f.not for sale |
68 2008.7 | 64
0 2 NYA |
90%:56 80%:53 70%:48 60%:39 |
 | L99A/M102Q binders
not for sale p.phone f.not for sale |
94 2008.7 | 101
0 3 NYA |
90%:75 80%:63 70%:48 60%:38 |
 | L99A/M102Q non-binders
not for sale p.phone f.not for sale |
24 2008.7 | 26
0 0 NYA |
90%:24 80%:22 70%:21 60%:21 |
 | NCI Diversity II
dtpinfo at mail.nih.gov p.no phone f.no fax |
1364 2009.4 | 1880
5 342 NYA |
90%:1363 80%:1223 70%:1024 60%:784 |
 | PubChem
p.phone f.fax |
19159284 2006.1 | 9467082
3193633 1246967 NYA |
90%:N/A 80%:N/A 70%:N/A 60%:20177 |
 | Street drugs
no email p.no phone f.no fax |
172 2009.4 | 256
0 41 NYA |
90%:114 80%:90 70%:67 60%:51 |
 | Nanosyn
sales at nanosyn.com p.+1 650 853 7030 f.+1 650 853 7031 |
58587 2004-08-01 | 57932
14540 4966 NYA |
90%:1226 80%:988 70%:735 60%:487 |
 | Polyphor
info at polyphor.com p.+41 61 486 98 98 f.+41 61 486 98 69 |
1 2005.6 | 0
0 NYA |
90%:0 80%:0 70%:0 60%:0 |
The following limits are in effect:
We have generated protonated forms in 3 pH ranges. The reference structure ("ref") is a single representative structure at pH 7. The middle pH range ("mid") contains additional protonated forms obtained by titrating protons with pKa between 5.75 and 8.25. The low pH range ("lo") contains additional protonated forms between pH 4.5-7 and the high pH range ("hi") contains additional protonation forms between pH 7-9.5. Databases are divided into chunks for easier download. mol2 and sdf slices are 100MB or less uncompressed. Flexibase are 160MB or less uncompressed. To download all files in the usual pH range (5.75-8.25) use "Usual". To download databases for metalloenzymes use "Metal", which adds the pH range 7-9.5 to usual above. For the entire pH range 4.5-9.5 please use "All". We also offer tables of Molecular Properties, purchasing information, and Inchi files. A product of
BCIRC, the
Bioinfomatics and Chemical Informatics Research Center @ UCSF.
Last updated Aug 6, 2009.
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