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Freely Downloadable Databases

1 Chemsynthesis.com  

This website contains substances with their synthesis references and physical properties such as melting point, boiling point and density. There are currently more than 40 000 compounds and more than 45 000 synthesis references in the database.

2 ChemIDPlus - the database of compounds and structures by US National Library of Medicine (requires loading of JAVA Runtime Environment)
3 DrugBank
4 Drugs.com
5 RxList - the Internet Drug Index
6 QueryChem
7 ChemDB
8 ChemDB/ChemicalSearch: Find Chemicals by Various Search Criteria
9 Development of QSAR models using C-QSAR program: a regression program that has dual databases of over 21,000 QSAR models
10 ADME Databases
11 The Carcinogenic Potency Database (CPDB)
12 The US Environmental Protection Agency Toxicity Datasets
13 ZINC - a free database of commercially-available compounds for virtual screening
14 PubChem - NIH's database on biological activities of small molecules
15 NCI's CACTUS databases
16 IUPAC's International Chemical Identifier (InChITM)
17 Bioinformatics and Drug Design (BIDD) Group Databases
Get related paper
18 LOGKOW - a databank of evaluated octanol-water partition coefficients (Log P)
19 ChemMine - ChemMine is a compound mining database that facilitates drug and agrochemical discovery and chemical genomics screens. The associated publication is available in Plant Physiol: 138, 573-577
20 Super Drug database - 2396 compounds with 108198 conformers
21 Chemistry, Structures & 3D Molecules@3Dchem.com
22 Database of Approved Animal Drug Products of the FDA Center for Veterinary Medicine
23 Drugs, Supplements, and Herbal Information a joint service of the US National Library of Medicine (NLM) and National Institutes of Health (NIH)
24 WHO's Anatomical Therapeutic Chemical (ATC) and Defined Daily Dose (DDD) Index 2007 a service of the WHO Collaborating Centre for Drug Statistics Methodology
Note: Please click on the "ATC 2007 Index" link in menu bar on left side to access the free service.
25 Drug Interactions - cytochrome p450 system
26 MEDPHYT® - a database for plants of medicinal interest
27 R&D Chemicals - Online Chemicals Database
28 NIH-NCRR's Pharmabase - a database of cellular physiology & pharmacology
29 Human Tumor Cell Line Screen - NIH-NCI's Developmental Therapeutics Program (DTP) database of compounds that have been screened for ability to inhibit the growth of human tumor cell lines.
30 PubDock - Docking PubChem For Discovery
31 Pub3D - 3D Structures database
32 ChemBioGrid - databases - supported by the Indiana University - that store and search 2D chemical structure information
33 ChemExper - catalogue of chemicals
34 ECOTOX Database
35 Technology for Growth - Useful resource for technological support, news and database on environment related QSAR
36 ChemXSeer - Searches papers, formulae, tables, Gaussian calculations, CHARMM calculations and CHEMDATA.

Note: Most of these search engines are in alpha versions. User discretion is advised.
37 CCMSI - free databases made available by the Computational Center for Molecular Structure and Interactions (CCMSI) - a research centre funded by the National Science Foundation (CREST program) based in Jackson, MS, USA.
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