In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 35 | 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) | 5.05 | 14.39 | -46.97 | 2 | 5 | 1 | 46 | 470.637 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.05 | 12.1 | -13.2 | 1 | 5 | 0 | 45 | 469.629 | 8 | ↓ |