| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2009 | 24 | 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) | -3.96 | -2.56 | -98.13 | 5 | 9 | -1 | 173 | 401.248 | 11 | ↓ |
| Hi High (pH 8-9.5) | -3.96 | -3.23 | -105.44 | 4 | 9 | -2 | 171 | 400.24 | 11 | ↓ |
| Hi High (pH 8-9.5) | -4.29 | 2.32 | -101.54 | 4 | 9 | -2 | 164 | 400.24 | 11 | ↓ |
