| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 30 | Yes |
Popular Name: N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-(3,3-diphenylpropyl)-6-(2,2,2-…
| 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) | 4.68 | 9.37 | -11.15 | 1 | 4 | 0 | 51 | 414.427 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES-2-E | Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 5.4 | 0.39 | Binding ≤ 1μM |
| HYES_RAT | P80299 | Epoxide Hydrolase 2, Rat | 7.8 | 0.38 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 5.4 | 0.39 | Binding ≤ 10μM |
| HYES_RAT | P80299 | Epoxide Hydrolase 2, Rat | 7.8 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
