| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 20 | 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) | 1.12 | 1.76 | -50.15 | 4 | 6 | 1 | 94 | 298.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | -1.37 | -44.93 | 2 | 6 | -1 | 99 | 296.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 0.91 | -36.9 | 3 | 6 | 0 | 100 | 297.38 | 4 | ↓ |
