In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 33 | 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) | 5.05 | 14.18 | -24.89 | 0 | 5 | 0 | 55 | 498.073 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.05 | 14.64 | -60.96 | 1 | 5 | 1 | 57 | 499.081 | 9 | ↓ |