In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2008 | 34 | 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) | 1.73 | 1.63 | -17.12 | 4 | 12 | 0 | 177 | 465.422 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 2.72 | -61.62 | 5 | 12 | 1 | 181 | 466.43 | 5 | ↓ |