In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 18 | 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) | 1.40 | 3.5 | -45.94 | 2 | 6 | -1 | 100 | 375.171 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.47 | -12.61 | 3 | 6 | 0 | 98 | 376.179 | 3 | ↓ |