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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.
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Vendor
Information

Name
Email
Phone
Fax

Catalog
Information

Source- entries,
Version/ Date

ZINC
Information

Loaded,
Filtered,
Sole- source,
Depleted

Diversity
Information

Cluster represent-
atives
at a given Tanimoto cutoff

Chembo Pharma
sales at chembopharma.com 
p.+86-025-68662071
f.+86-025-68661071
277162
2015-08-03
303183 download
648
52704
NYA
90%:N/A
80%:N/A
70%:N/A
60%:6726
Enamine Building Blocks
enamine at enamine.net 
p.+380 44 537 3218
f.+380 44 537 3253
116232
2015-04-21
133859 download
2990
8394
NYA
90%:55966
80%:21388
70%:7020
60%:2369
Enamine
enamine at enamine.net 
p.+380 44 537 3218
f.+380 44 537 3253
1878225
2014-08-18
2660986 download
3225
41319
NYA
90%:N/A
80%:N/A
70%:0
60%:8613
Ark Pharm Building Blocks
sales at arkpharminc.com 
p.+1 847 367 3680
f.+1 847 367 3681
140634
2015-08-02
137128 download
3871
10442
NYA
90%:64347
80%:21302
70%:8034
60%:3127
Fluorochem
vernam at fluorochem.co.uk 
p.+44 1457 868921
f.+44 1457 869360
168802
2015-04-15
178111 download
4117
13329
NYA
90%:N/A
80%:N/A
70%:N/A
60%:3054
AK Scientific
sales at aksci.com 
p.510 429-8835
f.510 429-8836
116708
2015-07-25
109711 download
5849
3634
NYA
90%:52461
80%:19551
70%:7821
60%:3273
Ryan Scientific BB
sales at ryansci.com 
p.+1 843 884 4911
f.+1 843 884 5568
230561
2015-04-16
180398 download
5933
413
NYA
90%:N/A
80%:27064
70%:9641
60%:3529
Alinda
alinda at alinda.ru 
p.+7 (495) 989-96-71
f.+7 (495) 989-96-72
186856
2015-04-15
223782 download
6656
2790
NYA
90%:N/A
80%:N/A
70%:N/A
60%:2228
Life Chemicals
George.Bondar at lifechemicals.com 
p.+1 905 634 5212
f.+1 905 634 4719
413286
2015-12-02
466398 download
6853
23060
NYA
90%:N/A
80%:N/A
70%:13241
60%:3594
Tractus
contact at tractuschem.com 
p.852-81982399
f.852-21454132
140463
2014-08-18
152699 download
7877
11516
NYA
90%:N/A
80%:N/A
70%:N/A
60%:3620
ChemBridge
support at chembridge.com 
p.858 451 7400
f.858 451 7401
1046044
2015-11-24
1323194 download
8702
31905
NYA
90%:N/A
80%:N/A
70%:N/A
60%:7538
Chemical Block
orders at chemical-block.com 
p.+7 095 1356343
f.+7 095 1372966
125361
2013-02-18
175665 download
9765
10811
NYA
90%:62274
80%:32373
70%:15124
60%:5829
BioBlocks
sales at bioblocks.com 
p.+1 858 558 5900
f.+1 858 558 5911
125426
2014-05-12
159873 download
9791
861
NYA
90%:60800
80%:31578
70%:14707
60%:5668
TimTec
info at timtec.com 
p.(302) 292-8500
f.(302) 292-8520
184675
2013-01-16
229341 download
10686
15116
NYA
90%:91503
80%:44574
70%:19681
60%:7105
AsisChem
sales at asischem.com 
p.+1 866 609 8657
f.+1 617 837 2114
915175
2015-08-03
349756 download
13192
98094
NYA
90%:N/A
80%:N/A
70%:5268
60%:1845
Otava
otavaservices at gmail.com 
p.+1 416 549 8030
f.+1 866 881 9921
281841
2015-12-02
316408 download
13464
2530
NYA
90%:N/A
80%:25907
70%:9929
60%:3475
Asinex
busdev at asinex.com 
p.+7 495 780 3417
f.+7 095 780 3419
467802
2012-08-03
692987 download
14263
189898
NYA
90%:152762
80%:60022
70%:19377
60%:5287
Specs
info at specs.net 
p.+31 88 5255111
f.+31 88 5255151
212531
2015-11-23
277409 download
14924
8149
NYA
90%:N/A
80%:N/A
70%:N/A
60%:N/A
Zelinsky Institute
sales at zelinsky.com 
p.+1 302 250 4980
f.+1 302 292 8520
311687
2013-02-19
385115 download
15306
348
NYA
90%:103340
80%:32996
70%:10613
60%:3438
IBScreen
screen at ibscreen.chg.ru 
p.+7 (095) 788 0651
f.+7 (095) 788 0652
466308
2015-08-02
625038 download
16474
6857
NYA
90%:128040
80%:50622
70%:19013
60%:6403
Sigma Aldrich (Building Blocks)
CSSService at sial.com 
p.(800) 325-3010 (USA) or 414-438-3850 (elsewhere)
f.(800) 325-5052
109823
2015-04-21
67449 download
16668
5285
NYA
90%:33451
80%:15707
70%:7158
60%:3126
Ryan Scientific
sales at ryansci.com 
p.843 884 4911
f.843 884 5568
198774
2015-04-17
269386 download
17193
5225
NYA
90%:80983
80%:35431
70%:15917
60%:6587
American Custom Chemicals Corp.
sales at acccorporation.com 
p.858 201 6118
f.858 451 8607
142958
2013-01-17
217931 download
19284
69068
NYA
90%:46943
80%:21921
70%:10899
60%:4717
Aldrich CPR
CSSService at sial.com 
p.(800) 325-3010 (USA) or 414-438-3850 (elsewhere)
f.(800) 325-5052
178646
2015-06-21
214449 download
20394
35658
NYA
90%:70504
80%:33151
70%:14017
60%:5353
Innovapharm
reag at nbi.com.ua 
p.+38 044 5599572
f.+38 044 4927309
336856
2014-05-13
419017 download
20850
1630
NYA
90%:69973
80%:25717
70%:10144
60%:3673
NCI Plated 2007
dtpinfo at mail.nih.gov 
p.no phone
f.no fax
139735
2011-09-21
87374 download
21235
59580
NYA
90%:55685
80%:29960
70%:14526
60%:6400
PBMR Labs
info at pbmr.com.ua 
p.+38 044 5599081
f.+38 044 3614520
480244
2013-02-16
570455 download
21679
39424
NYA
90%:121469
80%:39756
70%:13749
60%:4674
Pharmeks
sales at pharmeks.com 
p.+7 (095) 702-9648
f.+7 (095) 702-9648
259523
2011-12-29
379166 download
24183
28810
NYA
90%:80363
80%:34957
70%:15387
60%:5966
UORSY
sales at ukrorgsynth.com 
p.+38 044 531 94 97
f.+38 044 531 94 97
1190916
2012-10-29
1449460 download
26441
579289
NYA
90%:385654
80%:78139
70%:27726
60%:5747
Molport BB
sales at molport.com 
p.+371 6779 0398
f.+371 67801123
529387
2015-11-24
386600 download
34033
4492
NYA
90%:134708
80%:41258
70%:13842
60%:4616
Mcule
order at mcule.com 
p.phone
f.fax
4835067
2013-08-14
6403674 download
42308
133776
NYA
90%:N/A
80%:N/A
70%:N/A
60%:N/A
Princeton BioMolecular Research
info at princetonbio.com 
p.+1 732 355 9920 x102
f.+1 732 355 9921
1213230
2015-08-04
1475931 download
57046
55526
NYA
90%:293217
80%:91115
70%:28227
60%:8273
ChemDiv
chemdiv at chemdiv.com 
p.858-794-4860
f.858-794-4931
1428619
2015-04-16
1745928 download
61661
23521
NYA
90%:N/A
80%:N/A
70%:N/A
60%:N/A
Vitas-M
irina at vitasmlab.com 
p.+31 (0) 55 50 500 33
f.+31 (0) 55 50 500 34
1294572
2015-12-03
1640817 download
69001
18337
NYA
90%:N/A
80%:N/A
70%:N/A
60%:N/A
The following limits are in effect:
  • Molecules per mol2 or SDF format file: 100,000
  • Entries per flexibase file 20,000
  • Typical size of mol2/sdf/flexibase files: 20 to 100 MB
  • Number of large files that may be downloaded concurrently: 2
In the downloads above, we offer four formats: SMILES, mol2, SDF, and flexibase formats. Most docking programs we know of use mol2. We urge you to not download Flexibaseunless you are using DOCK3.5.54.

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. questions and discussion to zinc-fans at docking.org; bug reports to support at docking.org; any other correspondence to comments at docking.org. Terms of use. Privacy policy.