| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 34 | 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) | 5.92 | 11.32 | -11.48 | 2 | 6 | 0 | 78 | 451.526 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.69 | 11.96 | -45.59 | 0 | 6 | -1 | 77 | 450.518 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.69 | 11.5 | -54.27 | 0 | 6 | -1 | 77 | 450.518 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.92 | 12.12 | -40.55 | 1 | 6 | -1 | 81 | 450.518 | 6 | ↓ |
