| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2010 | 31 | Yes |
Popular Name: N-(2-morpholinoethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide N-(2-morpholinoethyl)-3-[[4-(tri…
| 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) | 3.08 | 4.29 | -21.67 | 3 | 7 | 0 | 83 | 436.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 6.57 | -54.95 | 4 | 7 | 1 | 84 | 437.442 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES-1-E | Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 22 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 22 | 0.35 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 22 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
