In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | 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) | 1.49 | 0.84 | -5.71 | 3 | 3 | 0 | 55 | 181.235 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 0.73 | -38.23 | 4 | 3 | 1 | 57 | 182.243 | 4 | ↓ |