| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2010 | 15 | 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) | -0.74 | 1.51 | -54.74 | 3 | 4 | 1 | 61 | 226.325 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 1.11 | -15.73 | 2 | 4 | 0 | 59 | 225.317 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.74 | 1.39 | -38.73 | 3 | 4 | 1 | 60 | 226.325 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.74 | 1.79 | -122.32 | 4 | 4 | 2 | 62 | 227.333 | 2 | ↓ |
