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 |
5.21 |
-8.21 |
2 |
7 |
0 |
72 |
397.401 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.26 |
4.84 |
-32.7 |
3 |
7 |
1 |
73 |
398.409 |
8 |
↓
|
Lo
Low (pH 4.5-6)
|
3.26 |
7.12 |
-92.63 |
4 |
7 |
2 |
74 |
399.417 |
8 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ABL1-1-E |
Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1150 |
0.30 |
Binding ≤ 10μM
|
BCR-1-E |
Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1150 |
0.30 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
CDO in myogenesis |
|
Factors involved in megakaryocyte development and platelet production |
|
Regulation of actin dynamics for phagocytic cup formation |
|
Rho GTPase cycle |
|
Role of Abl in Robo-Slit signaling |
|
Signaling by FGFR1 fusion mutants |
|
No pre-computed analogs available. Try a structural similarity search.