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)
|
6.55 |
13.91 |
-13.66 |
1 |
5 |
0 |
65 |
494.587 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
LOX5-1-E |
Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
180 |
0.26 |
Binding ≤ 10μM
|
Z50587-5-O |
Homo Sapiens (cluster #5 Of 9), Other |
Other |
900 |
0.23 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Synthesis of 5-eicosatetraenoic acids |
|
Synthesis of Leukotrienes (LT) and Eoxins (EX) |
|
Synthesis of Lipoxins (LX) |
|
No pre-computed analogs available. Try a structural similarity search.