In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 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) | -1.58 | 3.45 | -95.03 | 10 | 10 | 2 | 172 | 413.567 | 11 | ↓ |
Mid Mid (pH 6-8) | -1.58 | 1.01 | -42.63 | 9 | 10 | 1 | 171 | 412.559 | 11 | ↓ |