| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 28 | 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) | 3.59 | 5.4 | -11.66 | 3 | 6 | 0 | 89 | 397.862 | 4 | ↓ |
| Ref Reference (pH 7) | 3.59 | 5.37 | -11.14 | 3 | 6 | 0 | 89 | 397.862 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 6.09 | -38.98 | 2 | 6 | -1 | 92 | 396.854 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.75 | -45.18 | 1 | 6 | -1 | 88 | 396.854 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.31 | -57.5 | 1 | 6 | -1 | 88 | 396.854 | 4 | ↓ |
