In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 17 | 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) | 0.59 | 1.72 | -6.21 | 3 | 6 | 0 | 91 | 232.243 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 0.05 | -36.8 | 2 | 6 | -1 | 94 | 231.235 | 3 | ↓ |