Downloaded ZINC databases

Following parts of ZINC were installed in /scratch/mcm/mcmhts/ZINC/

ZINC Database
Vendor
Version
Number of
molecules
./acb/
ACB
2006.04
2928
./ambinter/ Ambinter
2004-08-01
533866
./chembridge/ ChemBridge
2006.6
455439
./chemdiv/
ChemDiv
2006.5
290080
./enamine/ Enamine
2006.6
514934
./ibscreen/
IBscreen
2006.3
355465
./interchim/
InterChim
2004-10
288882
./keyorganics/
KeyOrganics
2004-08-01
32672
./lifechemicals/
LifeChemicals
(IFlab)
2006.5
170752
./maybridge/
MayBridge
2006.5
66594
./nanosyn/
Nanosyn
2004-08-01
61185
./nci/ NCI
Nov 2003
284148
./otava/
Otava
2006.5
116829
./peakdale
Peakdale
2006
8123
./pharmeks/
Pharmeks
2006.5
48241
./pubchem/ PubChem
2006.1
2580343
./ryan/
Ryan
2006.5
47929
./sigmaaldrich/
Sigma-Aldrich
2006.5
115595
./specs/ SPECS
2006.8
213377
./timtec/ TimTec
2005.11
90621
sum


6278003

Further information of the different parts of databases are in the README.vb files.

Not available databases

Bay Area Screening Compounds http://basc.ucsf.edu (This database was not accessible from ZINC and for the company webpage a password is required)


Wrong compounds/ZINC names

ZINC02281214
ZINC02458493
ZINC03241974
ZINC03254619
ZINC03309410
ZINC03406604
ZINC03528174
ZINC01608677

Separated by vendor

enaminie
ZINC03406604
ZINC03528174
ZINC03309410

nci
ZINC01608677

pubchem
ZINC03528174
ZINC03309410
ZINC03406604
ZINC01608677

sigma-aldrich
ZINC01608677


update: Stefan Henrich 07.03.2007
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