title: ZINC: a free tool to discover chemistry for biology.
abstract: ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by structure, biological activity, physical property, vendor, catalog number, name, and CAS number. Small custom subsets may be created, edited, shared, docked, downloaded, and conveyed to a vendor for purchase. The database is maintained and curated for a high purchasing success rate and is freely available at zinc.docking.org.
authors.affiliation: Department of Pharmaceutical Chemistry, Byers Hall, University of California San Francisco, 1700 Fourth St, Box 2550, San Francisco, California 94158-2330, United States. jji@cgl.ucsf.edu
authors.forename: John J
authors.initials: JJ
authors.lastname: Irwin
authors.forename: Teague
authors.initials: T
authors.lastname: Sterling
authors.forename: Michael M
authors.initials: MM
authors.lastname: Mysinger
authors.forename: Erin S
authors.initials: ES
authors.lastname: Bolstad
authors.forename: Ryan G
authors.initials: RG
authors.lastname: Coleman
mesh_terms: D001695:Biology / Q000379:methods*; D015393:Chemistry, Bioinorganic; D019992:Databases as Topic / Q000191:economics; D016503:Drug Delivery Systems; D054852:Small Molecule Libraries / Q000737:chemistry
chemical_list: D054852:Small Molecule Libraries