ZINC: a free tool to discover chemistry for biology

JJ Irwin, T Sterling, MM Mysinger… - Journal of chemical …, 2012 - ACS Publications
JJ Irwin, T Sterling, MM Mysinger, ES Bolstad, RG Coleman
Journal of chemical information and modeling, 2012ACS Publications
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 …
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.
ACS Publications