In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 4.79 | 11.71 | -58.59 | 0 | 4 | -1 | 60 | 412.506 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.79 | 10.96 | -14.81 | 1 | 4 | 0 | 58 | 413.514 | 7 | ↓ |