| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 27 | Yes |
2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(phenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
| 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) | 2.92 | 11.11 | -13.23 | 0 | 4 | 0 | 68 | 368.473 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 9.37 | -40.16 | 1 | 4 | -1 | 77 | 367.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 11.68 | -119.56 | 0 | 4 | -2 | 80 | 366.457 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 10.61 | -41.76 | 1 | 4 | -1 | 77 | 367.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 12.22 | -40.54 | 0 | 4 | -1 | 74 | 367.465 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 12.17 | -40.76 | 0 | 4 | -1 | 74 | 367.465 | 3 | ↓ |
