| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 26 | No |
| 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) | 6.03 | 7.01 | -8.98 | 2 | 4 | 0 | 65 | 443.244 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.49 | 4.55 | -45.34 | 1 | 4 | -1 | 69 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.03 | 7.36 | -35.96 | 1 | 4 | -1 | 68 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.54 | 7.21 | -89.46 | 0 | 4 | -2 | 67 | 441.228 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.03 | 7.78 | -37.39 | 1 | 4 | -1 | 68 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.49 | 5.23 | -43.04 | 1 | 4 | -1 | 69 | 442.236 | 3 | ↓ |
