In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2009 | 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) | 4.55 | 14.63 | -20.51 | 0 | 8 | 0 | 95 | 459.55 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.55 | 14.94 | -46.73 | 1 | 8 | 1 | 96 | 460.558 | 5 | ↓ |