| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 9th, 2006 | 30 | Yes |
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CAS Number: 497060-61-4
2,2'-(4-isopropylphenylmethylene)-bis-(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
2,2'-{[4-(propan-2-yl)phenyl]methanediyl}bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
| 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) | 4.43 | 14.33 | -27.39 | 0 | 4 | 0 | 68 | 410.554 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.60 | 12.05 | -62.43 | 1 | 4 | -1 | 77 | 409.546 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.60 | 13.37 | -119.95 | 0 | 4 | -2 | 80 | 408.538 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.60 | 11.18 | -39.27 | 1 | 4 | -1 | 77 | 409.546 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.02 | 12.9 | -40.52 | 0 | 4 | -1 | 74 | 409.546 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.02 | 13.84 | -47.73 | 0 | 4 | -1 | 74 | 409.546 | 4 | ↓ |
