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)
|
6.09 |
13.44 |
-81.25 |
3 |
4 |
2 |
34 |
414.528 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
6.09 |
10.64 |
-8.64 |
1 |
4 |
0 |
31 |
412.512 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
6.09 |
11.08 |
-34.43 |
2 |
4 |
1 |
33 |
413.52 |
4 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
MAPK2-1-E |
MAP Kinase-activated Protein Kinase 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
700 |
0.28 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
activated TAK1 mediates p38 MAPK activation |
|
Butyrate Response Factor 1 (BRF1) destabilizes mRNA |
|
CREB phosphorylation |
|
Oxidative Stress Induced Senescence |
|
p38MAPK events |
|
Regulation of HSF1-mediated heat shock response |
|
Synthesis of Leukotrienes (LT) and Eoxins (EX) |
|
Tristetraprolin (TTP) destabilizes mRNA |
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.