| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2005 | 22 | No |
Popular Name: 2-butyryl-5-phenyl-3-(propylamino)-2-cyclohexen-1-one 2-butyryl-5-phenyl-3-(propylamin…
| 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) | 3.75 | 8.23 | -10.34 | 0 | 3 | 0 | 47 | 299.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 9.58 | -47.9 | 0 | 3 | -1 | 52 | 298.406 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 8.78 | -12.77 | 0 | 3 | 0 | 52 | 298.406 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.33 | 8.05 | -40.33 | 0 | 3 | -1 | 52 | 298.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 0.31 | -12.68 | 0 | 3 | 0 | 46 | 299.414 | 6 | ↓ |
