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zinc-database

authentic

Access the ZINC (230M+ purchasable compounds) database when you need to look up compounds by ZINC ID/SMILES, run similarity/analog searches, or download 3D ready-to-dock structures for virtual screening and drug discovery.

When to use

• **Build a virtual screening library** by sampling purchasable compounds (e.g., fragment/lead-like/drug-like subsets).
• **Retrieve compounds by identifier** (ZINC ID) for follow-up analysis, procurement, or reporting.
• **Search by structure (SMILES)** to find exact matches or **analogs** via similarity thresholds.
• **Validate supplier availability** by querying supplier/catalog identifiers and mapping them to ZINC entries.
• **Download docking-ready 3D structures** (e.g., MOL2/SDF/DB2) organized by ZINC tranches for docking pipelines.

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