| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2008 | 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) | 4.05 | 8.73 | -41.54 | 3 | 5 | 1 | 63 | 399.273 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.23 | 6.96 | -26.5 | 2 | 5 | 0 | 69 | 398.265 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 7.87 | -36.73 | 2 | 5 | 0 | 69 | 398.265 | 6 | ↓ |
