In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 16 | 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) | 1.32 | 7.22 | -46.63 | 2 | 4 | 1 | 46 | 221.328 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 7.6 | -89.89 | 3 | 4 | 2 | 47 | 222.336 | 3 | ↓ |