In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 29 | 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) | 1.39 | 1.94 | -14.86 | 3 | 12 | 0 | 150 | 403.447 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 4.27 | -46.36 | 4 | 12 | 1 | 151 | 404.455 | 5 | ↓ |