| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 35 | Yes |
Popular Name: 4'-tert-Butyl-4-[4-(hydroxybenzhydryl)piperidino]putyrophenone 4'-tert-Butyl-4-[4-(hydroxybenzh…
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CAS Numbers: 43076-44-4 , [43076-30-8]
| 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) | 6.50 | 16.49 | -45.95 | 2 | 3 | 1 | 42 | 470.677 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2J2-1-E | Cytochrome P450 2J2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 700 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2J2_HUMAN | P51589 | Cytochrome P450 2J2, Human | 700 | 0.25 | Binding ≤ 1μM |
| CP2J2_HUMAN | P51589 | Cytochrome P450 2J2, Human | 700 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Fatty acids | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
