In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 30 | 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) | 2.56 | 11.39 | -17.33 | 0 | 6 | 0 | 68 | 418.884 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.56 | 12.17 | -39.48 | 1 | 6 | 1 | 69 | 419.892 | 6 | ↓ |