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)
|
3.26 |
3.59 |
-41.41 |
5 |
6 |
1 |
102 |
345.448 |
4 |
↓
|
|
Mid
Mid (pH 6-8)
|
3.26 |
3.51 |
-13.23 |
4 |
6 |
0 |
101 |
344.44 |
4 |
↓
|
|
Mid
Mid (pH 6-8)
|
3.26 |
3.46 |
-15.69 |
4 |
6 |
0 |
101 |
344.44 |
4 |
↓
|
Vendor Notes
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
JAK2-1-E |
Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
78 |
0.41 |
Binding ≤ 10μM
|
|
JAK3-1-E |
Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2930 |
0.32 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Factors involved in megakaryocyte development and platelet production |
|
|
Growth hormone receptor signaling |
|
|
Interferon gamma signaling |
|
|
Interleukin receptor SHC signaling |
|
|
Interleukin-2 signaling |
|
|
Interleukin-3, 5 and GM-CSF signaling |
|
|
Interleukin-6 signaling |
|
|
Interleukin-7 signaling |
|
|
Prolactin receptor signaling |
|
|
Regulation of IFNG signaling |
|
|
RMTs methylate histone arginines |
|
|
Signaling by Leptin |
|
|
Signaling by SCF-KIT |
|
No pre-computed analogs available. Try a structural similarity search.
