| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2010 | 22 | 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) | 2.36 | 7.68 | -37.15 | 2 | 5 | 1 | 54 | 324.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 5.4 | -9.23 | 1 | 5 | 0 | 53 | 323.462 | 6 | ↓ |
