In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 31 | 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) | 3.58 | 10.43 | -16.56 | 1 | 7 | 0 | 85 | 441.915 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.03 | 9.39 | -46.14 | 0 | 7 | -1 | 88 | 440.907 | 7 | ↓ |