In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 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) | 7.40 | 13.75 | -14.28 | 1 | 5 | 0 | 48 | 457.618 | 9 | ↓ |
Mid Mid (pH 6-8) | 7.40 | 14.19 | -27.42 | 2 | 5 | 1 | 49 | 458.626 | 9 | ↓ |