Supported Applications


  • Description

    a free database of commercially-available compounds for virtual screening. ZINC contains over 21 million purchasable compounds in ready-to-dock, 3D formats. ZINC is provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).

  • Usage Notes

    ZINC subsets are updated regularly, often quarterly or better. Thus if the timestamp on any subset you may have cached is older than 3 months, users are counseled to check the ZINC website for a more recent version.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install zinc Copy to clipboard
  • Primary Citation*

    J. J. Irwin, T. Sterling, M. M. Mysinger, E. S. Bolstad, and R. G. Coleman. 2012. ZINC: A Free Tool to Discover Chemistry for Biology. J Chem Inf Model. 52(7): 1757-1768.

    • *Full citation information available through