In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 4th, 2010 | 29 | 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) | 3.39 | 7.53 | -11.4 | 1 | 7 | 0 | 78 | 413.861 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.39 | 8.01 | -37.62 | 2 | 7 | 1 | 79 | 414.869 | 5 | ↓ |