In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 35 | 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) | 3.97 | 11.57 | -72.12 | 2 | 7 | 0 | 94 | 480.605 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.97 | 10.27 | -51.62 | 3 | 7 | 1 | 92 | 481.613 | 11 | ↓ |