| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 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) | 3.22 | 2.5 | -12.3 | 4 | 8 | 0 | 119 | 488.338 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 3.18 | -46.64 | 3 | 8 | -1 | 122 | 487.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 1.71 | -54.71 | 2 | 8 | -1 | 118 | 487.33 | 5 | ↓ |
