In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 28 | 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) | 4.74 | 11.61 | -25.24 | 1 | 5 | 0 | 56 | 413.93 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.74 | 12.05 | -39.54 | 2 | 5 | 1 | 57 | 414.938 | 5 | ↓ |