| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 22nd, 2006 | 29 | 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) | 4.18 | 11.81 | -18.72 | 2 | 6 | 0 | 80 | 404.495 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 11.07 | -42.79 | 1 | 6 | -1 | 82 | 403.487 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.18 | 12.46 | -75.22 | 1 | 6 | -1 | 83 | 403.487 | 4 | ↓ |
