News of 2024-06 Jun

From DISI
Revision as of 23:59, 19 June 2024 by Frodo (talk | contribs) (asdf)
Jump to navigation Jump to search
  • ZINC-22 2D (SMILES) is now over 61 billion distinct molecules*. From this:
    • 21.1 B are HAC 26 or less ("lead like")
    • 14.5 B are HAC 25 or less
    • 1.0 B are HAC 20 or less ("fragment- and small lead-like")

All are searchable in Smallworld (swp.docking.org) and Arthor (arthorp.docking.org), all for sale, and all downloadable as SMILES.


  • ZINC-22 3D is now over 6.3 B distinct purchasable molecules in biologically relevant, ready-to-dock formats.
    • 6.1 B to HAC26.
    • 4.3 B to HAC25.
    • 1.0 B to HAC21.
  • We have built a further 5 B that are in progress and will appear this year.