In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 29 | No |
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) | -4.46 | 8.61 | -240.03 | 1 | 11 | -3 | 171 | 412.419 | 9 | ↓ |
Mid Mid (pH 6-8) | -4.46 | 9.07 | -186.19 | 2 | 11 | -2 | 173 | 413.427 | 9 | ↓ |