| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 26 | 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) | 5.01 | 7.82 | -17.92 | 2 | 6 | 0 | 84 | 546.013 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.47 | 6.2 | -42.31 | 1 | 6 | -1 | 87 | 545.005 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.47 | 5.93 | -52.42 | 1 | 6 | -1 | 87 | 545.005 | 4 | ↓ |
