In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 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) | 0.71 | 3.54 | -48.37 | 4 | 4 | 1 | 70 | 242.302 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.71 | 3.83 | -98.08 | 5 | 4 | 2 | 71 | 243.31 | 4 | ↓ |