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)
|
3.71 |
8.18 |
-39.64 |
0 |
2 |
-1 |
40 |
239.225 |
1 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
PUBCHEM_PATENT_ID |
EP0236151A1; US4804684; US5616119 |
IBM Patent Data |
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 |
9600 |
0.39 |
Binding ≤ 10μM |
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
LOX5_RAT |
P12527
|
Arachidonate 5-lipoxygenase, Rat |
9600 |
0.39 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.