In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 37 | 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) | 6.53 | 14.49 | -11.06 | 0 | 6 | 0 | 73 | 517.025 | 9 | ↓ |
Lo Low (pH 4.5-6) | 6.53 | 14.96 | -37.81 | 1 | 6 | 1 | 74 | 518.033 | 9 | ↓ |