zinc-database

To search the ZINC database for purchasable chemical compounds, query by SMILES string, ZINC ID, or supplier codes. The Skill retrieves matching molecules from over 230 million purchasable compounds using the CartBlanche22 API.

You can retrieve 3D-ready molecular structures from ZINC for virtual screening and drug discovery. The Skill provides programmatic access to retrieve 3D conformations needed for molecular docking workflows.

The best way to find commercially available analogs in ZINC is through similarity searches. Input the hit compound's SMILES string and specify a distance threshold to retrieve structurally similar purchasable molecules with their ZINC IDs and supplier information.

The ZINC database search tool requires no external dependencies to run. It operates independently to query the CartBlanche22 API, allowing immediate access to compound search and retrieval without prerequisite environment setup.

When searching the ZINC chemical database, you can access over 230 million purchasable compounds. The search covers supplier codes, ZINC IDs, and SMILES queries across this extensive compound catalog.

You can look up compounds in ZINC using supplier codes instead of SMILES strings. The Skill supports searching by ZINC ID, SMILES, and supplier codes to retrieve compound information from the 230 million purchasable molecule database.