ZINC Database

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The ZINC database contains about 8 million compounds for virtual screening.

ZINC Diversity Set

Those who are doing virtual screening can start with the ZINC 60% lead-like diversity set available at


for the mathlab computers. These are already broken into roughly 1000 molecule chunks for convenient running on seawulf. There is a total of 19241 molecules in this set. The corresponding 70% diversity set is also available in the 3_t70 folder.


  • Downloading instructions adapted from ZINC:FAQ