News of 2024-06 Jun

• ZINC-22 2D (SMILES) is now over 76.8 billion distinct molecules*. From this:
  • 24.4 B are HAC 26 or less ("lead like")
  • 14.8 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)
• searchable in Arthor (arthorp.docking.org)
• all for sale, >95% of these on REAL terms (6 weeks, low-cost parallel synthesis, ~80% success rate)
• all downloadable as SMILES.

• ZINC-22 3D is now over 6.3 B distinct purchasable molecules in biologically relevant, ready-to-dock formats.
  • 5.8 B to HAC26.
  • 4.2 B to HAC25.
  • 1.0 B to HAC21.
• We have built a further 4-5 B that are in progress and will appear soon.

we fixed a typo bug in the cartblanche22 download scripts.

we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon.