Table 1. Summary of ZINC Contents by (A) Catalogs and (B) Moleculesa.
| (A) Catalogs in ZINC | Count |
|---|---|
| commercial screening compounds | 114 |
| commercial building blocks | 29 |
| commercial make-on-demand | 8 |
| procurement agents | 9 |
| boutique (expensive for screening) | 9 |
| total purchasable catalogs | 169 |
| annotated for bioactivity | 20 |
| lab use | 25 |
| total number of catalogs | 214 |
| (B) molecules in ZINC | Approximate countb |
|---|---|
| commercially available | 20 000 000 |
| annotated for bioactivity | 1 500 000 |
| “lead-like”, rule of 3.5 | 4 500 000 |
| “fragment-like”, rule of 2.5 | 550 000 |
| “Drug-like”, rule of 5 | 14 000 000 |
| total unique molecules | 34 000 000 |
a
Additional detailed information is provided in the Supporting Information and online at zinc.docking.org/catalogs/.
b
NB numbers are approximate because ZINC contents change frequently.