| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2005 | 25 | No |
Popular Name: 1-[4-[4-(3-oxobutanoyl)phenoxy]phenyl]butane-1,3-dione 1-[4-[4-(3-oxobutanoyl)phenoxy]p…
| 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) | 3.56 | 10.06 | -18.92 | 1 | 5 | 0 | 81 | 338.359 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 11.15 | -50.36 | 0 | 5 | -1 | 84 | 337.351 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 11.66 | -64.44 | 0 | 5 | -1 | 84 | 337.351 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 10.6 | -100.57 | 0 | 5 | -2 | 89 | 336.343 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 10.93 | -99.86 | 0 | 5 | -2 | 89 | 336.343 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 12.86 | -29.55 | 0 | 5 | 0 | 78 | 338.359 | 8 | ↓ |
