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)
|
6.73 |
16.93 |
-55.92 |
0 |
4 |
-1 |
58 |
419.504 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
6.73 |
17.19 |
-63.07 |
1 |
4 |
0 |
59 |
420.512 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PPARG-1-E |
Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
260 |
0.29 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Nuclear Receptor transcription pathway |
|
PPARA activates gene expression |
|
Transcriptional regulation of white adipocyte differentiation |
|
No pre-computed analogs available. Try a structural similarity search.