| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 25 | Yes |
Popular Name: methyl methyl
| 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) | 4.54 | 5.78 | -11.73 | 3 | 6 | 0 | 88 | 344.411 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.54 | 6.78 | -53.16 | 2 | 6 | -1 | 90 | 343.403 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES-2-E | Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 1.2 | 0.50 | Binding ≤ 1μM |
| HYES_HUMAN | P34913 | Epoxide Hydratase, Human | 1.2 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
