In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | 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) | 0.83 | 3.89 | -80.17 | 4 | 5 | 2 | 56 | 298.475 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 6.36 | -163.61 | 5 | 5 | 3 | 57 | 299.483 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 3.96 | -88.97 | 4 | 5 | 2 | 56 | 298.475 | 6 | ↓ |