| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 3rd, 2006 | 20 | 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) | 3.58 | 5.33 | -18.11 | 2 | 5 | 0 | 74 | 273.336 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 3.44 | -57.75 | 1 | 5 | -1 | 77 | 272.328 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 3.71 | -44.41 | 1 | 5 | -1 | 77 | 272.328 | 6 | ↓ |
