| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 32 | Yes |
Popular Name: 4-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]-1-(p-tolyl)butan-1-one 4-[4-[hydroxy(diphenyl)methyl]-1…
| 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) | 5.25 | 15 | -47.82 | 2 | 3 | 1 | 42 | 428.596 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2J2-1-E | Cytochrome P450 2J2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 700 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2J2_HUMAN | P51589 | Cytochrome P450 2J2, Human | 700 | 0.27 | Binding ≤ 1μM |
| CP2J2_HUMAN | P51589 | Cytochrome P450 2J2, Human | 700 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Fatty acids | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
