| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 26 | No |
None
| 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 | 7.34 | -9.42 | 2 | 4 | 0 | 65 | 443.244 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.03 | 8.11 | -43.41 | 1 | 4 | -1 | 68 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.03 | 7.7 | -44.28 | 1 | 4 | -1 | 68 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.49 | 5.13 | -40.22 | 1 | 4 | -1 | 69 | 442.236 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.49 | 5.82 | -37.06 | 1 | 4 | -1 | 69 | 442.236 | 3 | ↓ |
