| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 28 | Yes |
| 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 | 11.94 | -50.64 | 2 | 5 | -1 | 81 | 391.576 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 6.50 | 9.96 | -12.13 | 3 | 5 | 0 | 78 | 392.584 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES-2-E | Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES_MOUSE | P34914 | Epoxide Hydratase, Mouse | 10 | 0.40 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 1.6 | 0.44 | Binding ≤ 1μM |
| HYES_RAT | P80299 | Epoxide Hydrolase 2, Rat | 11 | 0.40 | Binding ≤ 1μM |
| HYES_MOUSE | P34914 | Epoxide Hydratase, Mouse | 10 | 0.40 | Binding ≤ 10μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 1.6 | 0.44 | Binding ≤ 10μM |
| HYES_RAT | P80299 | Epoxide Hydrolase 2, Rat | 11 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
