In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 34 | 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) | 3.25 | 5.1 | -17.4 | 3 | 7 | 0 | 102 | 484.618 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 7.32 | -45.35 | 4 | 7 | 1 | 103 | 485.626 | 11 | ↓ |