In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2010 | 31 | 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) | 4.40 | 12.82 | -14.49 | 0 | 5 | 0 | 55 | 470.019 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.40 | 13.28 | -48.32 | 1 | 5 | 1 | 57 | 471.027 | 8 | ↓ |