In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2010 | 14 | Yes |
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) | 1.22 | 5.07 | -117.95 | 4 | 2 | 2 | 32 | 194.322 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 3.32 | -41.93 | 3 | 2 | 1 | 31 | 193.314 | 5 | ↓ |