In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | 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) | 1.59 | 4.45 | -112.4 | 5 | 4 | 2 | 61 | 245.411 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 4.07 | -35.89 | 4 | 4 | 1 | 60 | 244.403 | 10 | ↓ |