| 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 Source- entries, | ZINC Information Loaded, | Diversity Information Cluster represent- |
|---|---|---|---|---|
 | Asinex
sales at asinex.com p.+7 095 780 3411 f.+7 095 780 3419 |
372187 2006.3 | 369231
 125100 67224 NYA |
90%:85842 80%:32727 70%:12173 60%:4351 |
 | ChemBridge
sales at chembridge.com p.858 451 7400 f.858 451 7401 |
476161 2006.6 | 430751
7737 54157 NYA |
90%:130509 80%:41733 70%:14447 60%:5119 |
 | Chemical Block
orders at chemical-block.com p.+7 095 1356343 f.+7 095 1372966 |
123290 2006.3 | 160094
40980 33304 NYA |
90%:59808 80%:30809 70%:14194 60%:5380 |
 | Enamine
enamine at enamine.net p.+380 44 537 3218 f.+380 44 537 3253 |
1021826 2006.6 | 1044816
210704 260564 NYA |
90%:331628 80%:110069 70%:27044 60%:6230 |
 | IBScreen
screen at ibscreen.chg.ru p.+7 (095) 788 0651 f.+7 (095) 788 0652 |
428025 2006.3 | 536673
20010 146927 NYA |
90%:100839 80%:40859 70%:16593 60%:5900 |
 | Labotest
sales at labotest.com p.phone f.fax |
250000 2008.9 | 303627
1000 43522 NYA |
90%:97879 80%:35908 70%:13485 60%:4793 |
 | Life Chemicals
sales at lifechemicals.com p.+1 905 634 5212 f.+1 905 634 4719 |
200000 2006.5 | 549442
0 222958 NYA |
90%:81217 80%:27036 70%:9840 60%:3426 |
 | NCI Plated 2007
dtpinfo at mail.nih.gov p.no phone f.no fax |
139735 May 07 | 87374
0 59580 NYA |
90%:55685 80%:29960 70%:14526 60%:6400 |
 | Otava
info at otavachemicals.com p.(+380 44) 2522389 f.(+380 44) 2522458 |
196592 2006.5 | 299848
80410 157748 NYA |
90%:48324 80%:16168 70%:6265 60%:2323 |
 | Pharmeks
sales at pharmeks.com p.+7 (095) 702-9648 f.+7 (095) 702-9648 |
105602 2006.5 | 155543
0 42837 NYA |
90%:553 80%:497 70%:410 60%:304 |
 | Specs
info at specs.net p.+1 401 782 2994 f.410 772 3206 |
200946 2006.8 | 248330
70581 43833 NYA |
90%:1186 80%:836 70%:528 60%:345 |
 | Vitas-M
boerrigter at vitasmlab.com p.+31 (0) 55 50 500 33 f.+31 (0) 55 50 500 34 |
243000 2005.6 | 497393
0 137564 NYA |
90%:111292 80%:34511 70%:11327 60%:3674 |
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 May 6, 2008. bug reports to support at docking.org;
comments to comments at docking.org; questions and
discussion to blaster-fans at docking.org.
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