In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 28 | 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) | 3.42 | 7.5 | -14.32 | 1 | 7 | 0 | 80 | 462.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.25 | 7.9 | -42.93 | 2 | 7 | 1 | 80 | 463.333 | 4 | ↓ |