| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 27 | 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) | 4.89 | 5.62 | -42.19 | 1 | 6 | -1 | 83 | 448.318 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.89 | 6.54 | -92.87 | 0 | 6 | -2 | 86 | 447.31 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 7.19 | -41.55 | 1 | 6 | -1 | 87 | 448.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.38 | 6.77 | -42.07 | 1 | 6 | -1 | 87 | 448.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.84 | 3.75 | -46.46 | 1 | 6 | -1 | 87 | 448.318 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.84 | 4.44 | -46.28 | 1 | 6 | -1 | 87 | 448.318 | 5 | ↓ |
