| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2009 | 30 | 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) | 3.62 | 6.46 | -56.17 | 2 | 8 | -1 | 122 | 467.31 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.22 | -91.89 | 1 | 8 | -2 | 125 | 466.302 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 7.78 | -93.26 | 1 | 8 | -2 | 125 | 466.302 | 4 | ↓ |
