In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2010 | 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) | 3.96 | 7.38 | -5.39 | 2 | 2 | 0 | 35 | 245.297 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 7.26 | -46.81 | 3 | 2 | 1 | 37 | 246.305 | 3 | ↓ |