| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 30 | 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) | 8.28 | 11.15 | -8.65 | 2 | 4 | 0 | 65 | 443.012 | 4 | ↓ |
| Hi High (pH 8-9.5) | 8.57 | 9.16 | -49.44 | 1 | 4 | -1 | 69 | 442.004 | 4 | ↓ |
| Hi High (pH 8-9.5) | 8.57 | 9.65 | -46.98 | 1 | 4 | -1 | 69 | 442.004 | 4 | ↓ |
