Physical Representations
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)
|
4.84 |
9.77 |
-40.75 |
3 |
6 |
1 |
58 |
441.64 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
4.84 |
9.65 |
-44.03 |
3 |
6 |
1 |
58 |
441.64 |
8 |
↓
|
Hi
High (pH 8-9.5)
|
4.84 |
7.39 |
-8.55 |
2 |
6 |
0 |
57 |
440.632 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
HYES-2-E |
Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
5290 |
0.23 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
|
No pre-computed analogs available. Try a structural similarity search.