In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 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) | 0.31 | 1.2 | -57.54 | 3 | 5 | -1 | 95 | 176.155 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 1.57 | -31.6 | 4 | 5 | 0 | 96 | 177.163 | 1 | ↓ |