Welcome to ZINC, a free database of commercially-available compounds for virtual screening. ZINC contains over 100 million purchasable compounds in ready-to-dock, 3D formats.
ZINC is provided by the Irwin and Shoichet Laboratories in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF). We thank NIGMS for financial support (GM71896).
To cite ZINC, please reference: Sterling and Irwin, J. Chem. Inf. Model, 2015 http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00559. You may also wish to cite our previous papers: Irwin, Sterling, Mysinger, Bolstad and Coleman, J. Chem. Inf. Model, 2012 DOI: 10.1021/ci3001277 or Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82 PDF, DOI.
You can use ZINC for general questions such as
- How many substances in current clinical trials have PAINS patterns? (150)
- How many natural products have names in ZINC and are not for sale? (9296) get them as SMILES, names and calculated logP
- How many endogenous human metabolites are there? (47319) and how many of these can I buy? (8271) How many are FDA approved drugs? (94)
- How many compounds known to aggregate are in current clinical trials? (60)
- How many epigenetic targets have compounds known? (53) and Which of these substances can I buy? (278)
- How many ligands are there for the NMDA 1 ion channel GRIN1? (662) and How many of these are for sale? (60)
- 2016-03-14 - Massive purchasability update.
- 2016-03-14 - ZINC15 is going to ACS. See you in San Diego.
- 2015-09-28 - ZINC15 is released! Follow us on twitter @chem4biology Known limitations What's new