| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 19 | No |
Popular Name: 5-methyl-2-[(4-methyl-2,6-dioxo-cyclohexyl)methyl]cyclohexane-1,3-dione 5-methyl-2-[(4-methyl-2,6-dioxo-…
| 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) | 1.47 | 8.37 | -44.94 | 1 | 4 | -1 | 77 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 1.95 | -21.92 | 2 | 4 | 0 | 74 | 264.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 9.57 | -127.32 | 0 | 4 | -2 | 80 | 262.305 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 9.56 | -127.05 | 0 | 4 | -2 | 80 | 262.305 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 8.36 | -45.06 | 1 | 4 | -1 | 77 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 8.32 | -44.64 | 1 | 4 | -1 | 77 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.88 | 6.88 | -41.19 | 0 | 4 | -1 | 74 | 263.313 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.88 | 8.44 | -48.84 | 0 | 4 | -1 | 74 | 263.313 | 2 | ↓ |
