| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2009 | 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) | 4.54 | 7.39 | -11.21 | 2 | 6 | 0 | 82 | 452.363 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 8.15 | -16.16 | 1 | 6 | 0 | 85 | 451.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 8.73 | -40.19 | 1 | 6 | -1 | 85 | 451.355 | 3 | ↓ |
