A key problem in ligand discovery is compound acquisition. Starting with a target, ZINC can help users find ligands they can purchase. These may be annotated compounds from the literature or analogs predicted based on the literature. ZINC can also supply screening libraries of biologically-relevant representations in ready-to-dock formats for 3D methods or 2D libraries for chemoinformatics screening applications. For those users who begin with a ligand such as a drug or a screening hit, ZINC can help identify purchasable analogs, predict targets, and for phenotypic screens help to phenocopy it. Now in its 13th year, ZINC contains over 400 million commercially available compounds, 90% of which have been verified purchasable within the last 90 days.

ZINC: A free database of commercially available compounds for virtual screening and ligand discovery

254th National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.