ZINC Get Compound
Get the structure and computed properties for a ZINC22 compound by its ZINC ID, via the CartBlanche22 API (https://cartblanche22.docking.org/substance/{id}.json). Returns SMILES, molecular formula, molecular weight (mwt), calculated LogP, heavy/hetero atom counts, ring count, InChI, InChIKey, source database (zinc20/zinc22), and the number of vendor catalogs offering it (n_catalogs). Use ZINC_get_purchasable for the full vendor/price list, or ZINC_search_by_smiles to find a ZINC ID from a struc…
Overview
Get the structure and computed properties for a ZINC22 compound by its ZINC ID, via the CartBlanche22 API (https://cartblanche22.docking.org/substance/{id}.json). Returns SMILES, molecular formula, molecular weight (mwt), calculated LogP, heavy/hetero atom counts, ring count, InChI, InChIKey, source database (zinc20/zinc22), and the number of vendor catalogs offering it (n_catalogs). Use ZINC_get_purchasable for the full vendor/price list, or ZINC_search_by_smiles to find a ZINC ID from a structure. Replaces the retired zinc15.docking.org service.
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default ZINC Get Compound call
Identifiers
- Catalog ID
- tu_ZINC_get_compound
- Tool name
- ZINC_get_compound
- Added
- 2026-05-01 00:58Z
- Tags
- tooluniverse, slow