Purchasable bioactives are the purchasable compounds withing annotated catalogs of compounds with biological activity. The annotated catalog does not sell the compounds, but other vendors do. We intersect bioactive chemical space and purchasable chemical space right here. 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. More about ZINC subsets is here. 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 Source entries | ZINC Information Loaded | Diversity Information Cluster
representatives |
---|---|---|---|---|
![]() | BindingDB.org
none p.not for sale f.not for sale |
474635 2014-05-13 | 93345
![]() 12572 9232 NYA |
90%:53044 80%:36045 70%:19906 60%:7867 |
![]() | Bitter DB
no email p.no phone f.no fax |
580 2012-11-01 | 545
![]() 16 40 NYA |
90%:369 80%:303 70%:250 60%:185 |
![]() | ChEBI
no email p.no phone f.no fax |
16563 2012-01-26 | 7457
![]() 2072 1119 NYA |
90%:3871 80%:2614 70%:1688 60%:1045 |
![]() | ChEMBL DrugStore
no email p.no phone f.no fax |
8190 2013-02-20 | 5576
![]() 428 1083 NYA |
90%:3569 80%:2802 70%:2163 60%:1421 |
![]() | Collaborative Drug Discovery
no email - not a vendor p.no phone f.no fax |
1412817 2013-03-18 | 1488435
![]() 13938 120109 NYA |
90%:433545 80%:172173 70%:42850 60%:7561 |
![]() | DrugBank-approved
not for sale p.phone f.not for sale |
1408 2012-01-26 | 1629
![]() 85 94 NYA |
90%:1040 80%:876 70%:729 60%:547 |
![]() | DrugBank-experimental
not for sale p.phone f.not for sale |
5046 2012-01-26 | 4473
![]() 897 705 NYA |
90%:2303 80%:1816 70%:1401 60%:982 |
![]() | DrugBank-nutriceuticals
not for sale p.phone f.not for sale |
75 2012-01-26 | 89
![]() 3 10 NYA |
90%:53 80%:43 70%:36 60%:29 |
![]() | DrugBank-Street Drugs
no email p.no phone f.no fax |
172 2012-01-26 | 218
![]() 0 38 NYA |
90%:103 80%:81 70%:59 60%:43 |
![]() | DrugBank-withdrawn
not for sale p.phone f.not for sale |
66 2012-01-26 | 76
![]() 3 1 NYA |
90%:56 80%:55 70%:55 60%:52 |
![]() | FDA-approved drugs (via DSSTOX)
no email p.N/A f.N/A |
1217 2012-07-25 | 1985
![]() 163 361 NYA |
90%:795 80%:660 70%:542 60%:400 |
![]() | HMDB Endogenous
not for sale p.no phone f.no fax |
29332 2014-03-11 | 6606
![]() 11891 1037 NYA |
90%:2206 80%:1267 70%:734 60%:439 |
![]() | Human Metabolome Database
not for sale p.phone f.not for sale |
3176 2013-08-13 | 2081
![]() 439 366 NYA |
90%:855 80%:509 70%:316 60%:204 |
![]() | IBM Patent Data
p.phone f.fax |
499997 2012-12-24 | 31340
![]() 6659 10752 NYA |
90%:18061 80%:10870 70%:5018 60%:2072 |
![]() | IUPHAR Database
no email, not a vendor p.no phone, not a vend f.no fax, not a vendor |
3491 2012-10-11 | 2344
![]() 250 346 NYA |
90%:1514 80%:1280 70%:1075 60%:823 |
![]() | KEGG via PubChem
no email p.no phone f.no fax |
19960 2011-11-28 | 10490
![]() 2242 1971 NYA |
90%:5707 80%:4015 70%:2725 60%:1674 |
![]() | Lipidomics
no email p.no phone f.no fax |
37328 2015-02-12 | 4438
![]() 20893 1326 NYA |
90%:908 80%:438 70%:230 60%:125 |
![]() | NIH Clinical Collection
p.phone f.fax |
446 2013-01-15 | 522
![]() 23 9 NYA |
90%:386 80%:355 70%:327 60%:272 |
![]() | NPC (NCGC Pharma)
p.phone f.fax |
2994 2012-03-13 | 3277
![]() 133 232 NYA |
90%:2146 80%:1708 70%:1306 60%:859 |
![]() | Nubbe Natural Products
p.phone f.fax |
643 2013-01-28 | 147
![]() 19 22 NYA |
90%:91 80%:72 70%:58 60%:47 |
![]() | PDSP via PubChem
p.phone f.fax |
2871 2012-05-16 | 2610
![]() 75 671 NYA |
90%:1802 80%:1583 70%:1307 60%:915 |
![]() | Prous via PubChem
p.phone f.fax |
5487 2012-05-25 | 2925
![]() 498 579 NYA |
90%:2205 80%:1929 70%:1663 60%:1294 |
![]() | SMDC Iconix
no email p.no phone f.no fax |
909 2012-02-20 | 996
![]() 45 14 NYA |
90%:713 80%:608 70%:519 60%:420 |
![]() | SMDC Pharmakon
no email p.no phone f.no fax |
1600 2012-04-06 | 2176
![]() 192 7 NYA |
90%:1158 80%:951 70%:751 60%:525 |
![]() | StreptomeDB
no email p.no phone f.no fax |
2444 2013-01-26 | 739
![]() 511 158 NYA |
90%:405 80%:330 70%:250 60%:186 |
![]() | UMBBD
no email p.no phone f.no fax |
1319 2011-12-05 | 793
![]() 172 104 NYA |
90%:460 80%:311 70%:180 60%:112 |
![]() | Npedia
no email p.no phone f.no fax |
13000 2013-02-22 | 1710
![]() 1813 575 NYA |
90%:904 80%:692 70%:529 60%:362 |
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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