| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2010 | 30 | 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) | 4.45 | 8.5 | -11.06 | 2 | 6 | 0 | 78 | 425.916 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.22 | 8.33 | -54.06 | 0 | 6 | -1 | 77 | 424.908 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.22 | 8.3 | -52.95 | 0 | 6 | -1 | 77 | 424.908 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.45 | 9.31 | -45.4 | 1 | 6 | -1 | 81 | 424.908 | 6 | ↓ |
