In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 37 | 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) | 7.53 | 17.37 | -14.55 | 1 | 4 | 0 | 47 | 487.647 | 9 | ↓ |
Lo Low (pH 4.5-6) | 7.53 | 18.67 | -35.82 | 2 | 4 | 1 | 48 | 488.655 | 9 | ↓ |