In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 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) | 5.56 | 9.17 | -15.84 | 3 | 4 | 0 | 68 | 449.404 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.56 | 9.25 | -38.73 | 4 | 4 | 1 | 69 | 450.412 | 4 | ↓ |