| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 26 | Yes |
Popular Name: 2-[(2,6-dioxocyclohexyl)-(4-hydroxy-3-methoxy-phenyl)-methyl]cyclohexane-1,3-dione 2-[(2,6-dioxocyclohexyl)-(4-hydr…
| 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) | 0.95 | 7.44 | -18.56 | 1 | 6 | 0 | 98 | 358.39 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 7.59 | -114.87 | 1 | 6 | -2 | 110 | 356.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 6.51 | -65.23 | 2 | 6 | -1 | 107 | 357.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 7.53 | -49.14 | 1 | 6 | -1 | 104 | 357.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 4.89 | -49.01 | 2 | 6 | -1 | 107 | 357.382 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 6.18 | -47.75 | 1 | 6 | -1 | 104 | 357.382 | 4 | ↓ |
