In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 34 | No |
None
None
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) | 4.87 | 11.15 | -12.51 | 0 | 5 | 0 | 56 | 446.506 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.87 | 11.89 | -43.35 | 1 | 5 | 1 | 57 | 447.514 | 4 | ↓ |