zinc-database
ZINC Database
Overview
ZINC is a freely accessible repository of 230M+ purchasable compounds maintained by UCSF. Search by ZINC ID or SMILES, perform similarity searches, download 3D-ready structures for docking, discover analogs for virtual screening and drug discovery.
When to Use This Skill
This skill should be used when:
- Virtual screening: Finding compounds for molecular docking studies
- Lead discovery: Identifying commercially-available compounds for drug development
- Structure searches: Performing similarity or analog searches by SMILES
- Compound retrieval: Looking up molecules by ZINC IDs or supplier codes
- Chemical space exploration: Exploring purchasable chemical diversity
- Docking studies: Accessing 3D-ready molecular structures
- Analog searches: Finding similar compounds based on structural similarity
- Supplier queries: Identifying compounds from specific chemical vendors
- Random sampling: Obtaining random compound sets for screening
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