| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2006 | 34 | No |
Popular Name: 1-[4-(3,5-dioxo-5-phenyl-pentanoyl)phenyl]-5-phenyl-pentane-1,3,5-trione 1-[4-(3,5-dioxo-5-phenyl-pentano…
| 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) | 2.70 | 17.99 | -52.79 | 0 | 6 | 0 | 102 | 454.478 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.08 | 17.83 | -105.1 | 0 | 6 | -2 | 114 | 452.462 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.83 | 17.76 | -181.22 | 0 | 6 | -3 | 120 | 451.454 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.83 | 17.76 | -196.92 | 0 | 6 | -3 | 120 | 451.454 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 17.94 | -73.27 | 0 | 6 | -1 | 108 | 453.47 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 17.92 | -61.53 | 0 | 6 | -1 | 108 | 453.47 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 17.89 | -71.86 | 0 | 6 | -1 | 108 | 453.47 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 17.92 | -75.25 | 0 | 6 | -1 | 108 | 453.47 | 11 | ↓ |
