| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 18 | Yes |
| 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) | 3.04 | 8.39 | -41.7 | 2 | 4 | 1 | 46 | 249.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 7.08 | -6.09 | 1 | 4 | 0 | 41 | 248.374 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 8.9 | -88.45 | 3 | 4 | 2 | 47 | 250.39 | 3 | ↓ |
