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HTS - Compounds for Screening

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Download TimTec updated databases for 2014-2015.

The databases in SDF include physical-chemical properties calculations, Lipinsky score, SMILES, IUPAC names, InChI and InChI Keys. If you prefer receiving any other structural data formats, please contact us.

TimTec ActiMol Collection (127,397 compounds) primarily includes compounds from TimTec predesigned screening libraries. Lead time is 2-3 days.

TimTec Entire HTS Stock of 891,349 compounds is split in two parts for easier download. Lead time is 2-4 weeks depending on the number of compounds selected/ordered.

On Demand Database (531,892 compounds) includes structures that can be synthesized to order. Lead time varies from 3 to 6 weeks depending on chemistry and the number of compounds ordered at a time. The database lists SMILES, IUPAC names, InChI and InChI Keys.

Please let us know if you are looking for any individual structures, libraries, or customized sets for your next screening project. We can help you with the structure, substructure, fragment, functional groups, similarity searches, and compound selection based on chemical-physical properties. E-mail to

All calculations are performed usingTimTec proprietary software ChemDBsoft


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