[New Resources]  [Scholarly Communication] 

ZINC is a structure-based virtual screening database of purchasable compounds available for free download, developed by John Irwin and Brian K. Shoichet in the Department of Pharmaceutical Chemistry at UCSF. It consists of a library of close to 4.5 million molecules, each with 3D structure, using catalogs of compounds from vendors. Each molecule in the library contains vendor and purchasing information and is ready for docking using a number of popular docking programs. A web-based query tool incorporating a molecular drawing interface enables the database to be searched and browsed and subsets to be created. Users can process their own molecules by uploading them to a server. ZINC now links directly to PubChem, a free database of chemical structures of small organic molecules with information on their biological activities.

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