| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 24 | 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) | 2.96 | 8.68 | -18.49 | 2 | 6 | 0 | 80 | 342.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 8.1 | -44.29 | 1 | 6 | -1 | 82 | 341.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.30 | 9.49 | -44.68 | 1 | 6 | -1 | 82 | 341.416 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 9.44 | -74.57 | 1 | 6 | -1 | 83 | 341.416 | 3 | ↓ |
