In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 24 | 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) | 2.51 | 7.32 | -52.28 | 1 | 10 | -1 | 161 | 403.165 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 6.2 | -16.83 | 2 | 10 | 0 | 158 | 404.173 | 9 | ↓ |