In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 28 | 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) | 3.54 | 6.39 | -9.68 | 2 | 6 | 0 | 78 | 401.825 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 6.49 | -12.22 | 2 | 6 | 0 | 78 | 401.825 | 5 | ↓ |