| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 23rd, 2010 | 26 | Yes |
Popular Name: 1-[1-(cyclopropanecarbonyl)-4-piperidyl]-3-[4-(trifluoromethoxy)phenyl]urea 1-[1-(cyclopropanecarbonyl)-4-pi…
| 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) | 3.03 | 5.71 | -16.15 | 2 | 6 | 0 | 71 | 371.359 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES-2-E | Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES_MOUSE | P34914 | Epoxide Hydratase, Mouse | 0.4 | 0.51 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 0.4 | 0.51 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 0.4 | 0.51 | Binding ≤ 10μM |
| HYES_MOUSE | P34914 | Epoxide Hydratase, Mouse | 0.4 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
