In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 30 | 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) | 3.57 | 7.5 | -13.39 | 0 | 6 | 0 | 62 | 412.44 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 9.68 | -51.13 | 1 | 6 | 1 | 64 | 413.448 | 4 | ↓ |