In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 19 | Yes |
Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-1H-triazole-4-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.22 | 3.54 | -12.67 | 2 | 6 | 0 | 84 | 277.353 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.22 | 3.55 | -40.8 | 1 | 6 | -1 | 82 | 276.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.