In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 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) | 3.31 | 8.37 | -13.21 | 1 | 6 | 0 | 60 | 412.53 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 9.79 | -52.42 | 2 | 6 | 1 | 61 | 413.538 | 8 | ↓ |