ZINC22:Getting started

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ZINC22 is a complete redesign of ZINC. It will become available by 2022.

The key features of ZINC22 are

  • molecules are assigned to fine tranches before loading. A fine tranche is a slice of physical-chemical property space based on two properties: the number of heavy atoms (HAC) and calculated logP.
  • each fine tranche is loaded into a separate database where it is normalized and assigned a ZINC ID.
  • each fine tranche is processed independently into 3D molecules. It is this independence that makes ZINC22 more scalable than ZINC15/20.
  • fine tranches are combined to create the entire ZINC22 database
  • molecules are index by Smallworld and searchable by whole molecule similarity using Graph-Edit Distance (GED).
  • molecules are also indexed by Arthor and searchable by substructure and patterns (SMARTS).
  • molecules are downloadable from files22.docking.org