In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 31 | 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) | 0.87 | 7.96 | -27.29 | 1 | 10 | 0 | 117 | 447.427 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 7.05 | -49.11 | 0 | 10 | -1 | 123 | 446.419 | 4 | ↓ |