| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 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) | 3.72 | 5.5 | -11.49 | 3 | 6 | 0 | 89 | 442.313 | 4 | ↓ |
| Ref Reference (pH 7) | 3.72 | 5.48 | -11.03 | 3 | 6 | 0 | 89 | 442.313 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 6.2 | -38.88 | 2 | 6 | -1 | 92 | 441.305 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 5.85 | -45.15 | 1 | 6 | -1 | 88 | 441.305 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 5.41 | -57.35 | 1 | 6 | -1 | 88 | 441.305 | 4 | ↓ |
