In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 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) | 4.74 | 8.63 | -53.3 | 1 | 5 | -1 | 78 | 412.893 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 7.87 | -12.61 | 2 | 5 | 0 | 76 | 413.901 | 6 | ↓ |