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.
Target: Databases. Automatically collected · unverified.
Excerpt from the author’s documentation
Extracted from a fixed version of SKILL.md in its original language. This is the author’s documentation; installation, compatibility and runtime results have not been verified by this site.
Read the original English text
Topics in the source
- ZINC Database
- Overview
- When to Use This Skill
- Database Versions
- Access Methods
- Web Interface
- API Access
- Core Capabilities
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. 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 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 is an excerpt. Refer to the complete source and its current requirements.
- Source repository
- davila7/claude-code-templates
- Source file
- cli-tool/components/skills/scientific/zinc-database/SKILL.md
- Fixed revision
- 21be197f100a12b8d0dd9a211cc244c8179f84d3
Sources and evidence
This record was collected automatically. Its documentation, suitability and runtime behavior have not been manually verified.
Author: davila7/claude-code-templates · original repository metadata. Documentation review: Not reviewed. Last source check: 2026-11-09T15:01:40.461Z.
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