In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 46 | 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) | 8.73 | -0.28 | -20.61 | 2 | 10 | 0 | 149 | 604.626 | 8 | ↓ |
Mid Mid (pH 6-8) | 8.73 | -0.09 | -53.42 | 3 | 10 | 1 | 150 | 605.634 | 8 | ↓ |
Mid Mid (pH 6-8) | 8.73 | 0.1 | -120.31 | 4 | 10 | 2 | 151 | 606.642 | 8 | ↓ |