ZINC database

From Wikipedia, the free encyclopedia
Jump to: navigation, search
ZINC database
Zinc logo.png
Content
Description Chemical database
Data types captured Commercially available and annotated small molecules for virtual screening
Contact
Research center University of California San Francisco
Laboratory United States docking.org
Authors John Irwin, Team Leader
Primary citation PMID 15667143
Release date 2004
Access
Website ZINC
Download URL Downloads
Tools
Miscellaneous
License ZINC is free to use for everyone. Redistribution of significant subsets requires written permission from the authors.
Versioning ZINC12
Data release frequency continuously updated; static subsets regenerated quarterly or better.
Curation policy continuously curated

The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies, biotech companies, and research universities.

Scope and access[edit]

ZINC is different from other chemical databases because it aims to represent the biologically relevant, three dimensional form of the molecule.

Curation and updates[edit]

ZINC is updated regularly and may be downloaded and used free of charge. It is developed by John Irwin in the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco.

Version[edit]

The latest release of the website interface is "ZINC 12"(2012). The database contents are continuously updated. Static subsets are generated regularly and are dated.

External links[edit]


See also[edit]

  • DUD database is a directory of useful decoys derived from ZINC
  • DOCK Blaster is a virtual screening service that docks molecules from ZINC
  • PubChem a database of small molecules from the chemical and biological literature, hosted by NCBI
  • ChEMBL, a database of information about medicinal chemistry and biological activities of small molecules.