ZINC20 compound-library workflows for virtual screening
ZINC20 is a large public database of purchasable compounds. ReactorMD selects a subset that matches your criteria, prepares it and screens it against your target so that hits can be ordered or tested.
Who this service is for
- Researchers who want purchasable hit candidates
- Groups building a focused library by property or scaffold
- Students running a public-library screen
What to send us
- Target structure and binding site
- Subset criteria such as molecular weight range, charge and drug-likeness
- Preferred number of compounds
How the work is done
- Agree the subset criteria and size.
- Download and filter the subset.
- Prepare ligands in 3D with suitable protonation.
- Dock the subset against the target.
- Rank, cluster and return the hit list with purchasing identifiers.
What you receive
- Ranked hit list with ZINC identifiers
- Top-pose images and interaction summary
- Subset definition and settings
What this method can and cannot tell you
Availability and licensing of public data can change. Purchasability and activity are not guaranteed, and hits require experimental confirmation.
Frequently asked questions
What is ZINC20?
A free public database of commercially available compounds prepared for virtual screening.
Can I buy the compounds I find?
ZINC lists vendors for many compounds. Availability should be checked with the supplier before ordering.
How big a subset can you screen?
This depends on the target and compute. A quote is given once the criteria are known.
Is this different from the virtual screening service?
It is the same screening approach applied specifically to public ZINC20 subsets.
Related services
Structure-based virtual screening of compound libraries: library preparation, high-throughput docking, filtering and a ranked, traceable hit list.
ServiceLigand preparationLigand preparation for docking and virtual screening: standardisation, protonation and tautomer states, 3D generation, energy minimisation and format conversion.
ServiceMolecular dockingOnline protein–ligand molecular docking: structure and ligand preparation, binding-site definition, pose ranking, interaction analysis and a full report.
Learn more
Ready to start?
Tell us about your target and compounds. The price and scope are confirmed before payment.
Computational results are predictions and support, but do not replace, experimental validation. Page reviewed by ReactorMD, 16 October 2026.