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)
|
5.05 |
15.76 |
-50.91 |
2 |
6 |
1 |
54 |
564.607 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
5.05 |
16.9 |
-52.08 |
2 |
6 |
1 |
54 |
564.607 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
5.05 |
14.63 |
-17.88 |
1 |
6 |
0 |
53 |
563.599 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
5.05 |
16.24 |
-78.61 |
3 |
6 |
2 |
55 |
565.615 |
7 |
↓
|
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 |
49 |
0.25 |
Binding ≤ 10μM
|
Z80036-1-O |
BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other |
Other |
971 |
0.21 |
Functional ≤ 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 |
|
Role of Abl in Robo-Slit signaling |
|
No pre-computed analogs available. Try a structural similarity search.