Agent skill · research science · davila7
zinc-database
Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.
Why this skill is useful
Provides specific API commands and search methods for accessing a large database of purchasable compounds that the AI wouldn't reliably generate on its own.
What it needs
About 6k tokens when loaded. Last updated 2026-08-06. 30,138 stars on the source repository.
What this skill does
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 Database Versions ZINC has evolved through multiple versions: ZINC22 (Current): Largest version with 230+ million purchasable compounds and multi-billion scale make-on-demand compounds ZINC20: Still maintained, focused on lead-like and drug-like compounds ZINC15: Predecessor version, legacy but still documented This skill primarily focuses on ZINC22, the most current and comprehensive version. Access Methods Web Interface Primary access point: https://zinc.docking.org/ Interactive searching: https://cartblanche22.docking.org/ API Access All ZINC22 searches can be performed programmatically via the CartBlanche22 API: Base URL: https://cartblanche22.docking.org/ All API endpoints return data in text or JSON format with customizable fields. Core Capabilities 1. Search by ZINC ID Retrieve specific compounds using their ZINC identifiers. Web interface: https://cartblanche22.docking.org/search/zincid API endpoint: Multiple IDs: Response fields: zincid, smiles, subid, suppliercode, catalogs, tranche (includes H-count, LogP, MW, phase) 2. …
How to use it
Reference it in AdaL, Claude Code, Cursor or any coding agent — nothing to install:
@skills davila7/zinc-database