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Welcome to ZINC, a free database of commercially-available compounds for virtual screening. ZINC contains over 35 million purchasable compounds in ready-to-dock, 3D formats. ZINC is provided by the Irwin and Shoichet Laboratories in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).
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, biotechnology companies, and research universities. [1 ...
A key barrier to entry in virtual screening is the inaccessibility of a database to screen. We present here a new research tool suitable for both novices and experts to address this deficiency. The ZINC database provides 3D molecules in several formats compatible with most docking programs.
Aug 26, 2017 · ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains tens of millions of purchasable compounds in ready-to-dock, 3D formats.
ZINC is an open-access database of commercially available small organic molecules for drug discovery, currently > 13 millions compounds. ZINC is provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).
Some things to try. ZINC IDs: One or more ZINC IDs. SMILES: Search for compounds by SMILES (and optional similarity percentage) Ring Name: Search for compounds by component ring names. Drug Name: Common, street and systematic drug/compound names. CAS/MDL Number.
Feb 15, 2023 · We have therefore developed ZINC-22, a database of commercially accessible small molecules derived from multi-billion-scale make-on-demand libraries. The new database and tools enable analog searching in this vast new space via a facile GUI, CartBlanche, drawing on similarity methods that scale sublinearly in the number of molecules.
Oct 29, 2020 · ZINC is a publicly available database that aggregates commercially available and annotated compounds. ZINC provides downloadable 2D and 3D versions as well as a website that enables rapid molecule lookup and analog search. ZINC has grown from fewer than 1 million compounds in 2005 to nearly 2 billion now.
Ready-to-download subsets of ZINC filtered by physical properties are available below. All molecules in all of these subsets are purchasable. To go to the download page, click on the subset name.
ZINC (ZINC Is Not Commercial) is a public access database and tool set, initially developed to enable ready access to compounds for virtual screening, 1 that has become ever widely used for virtual screening, 2−9 ligand discovery, 10−13 pharamcophore screens, 14 benchmarking, 15−17 and force field development. 12,18 Increasingly, however ...
