| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 39 | 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) | 8.18 | 20.19 | -81.56 | 2 | 4 | 2 | 27 | 542.789 | 11 | ↓ |
| Hi High (pH 8-9.5) | 8.18 | 17.64 | -38.64 | 1 | 4 | 1 | 26 | 541.781 | 11 | ↓ |
| Hi High (pH 8-9.5) | 8.18 | 17.84 | -40.68 | 1 | 4 | 1 | 26 | 541.781 | 11 | ↓ |
