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)
|
4.20 |
14.75 |
-21.07 |
3 |
9 |
0 |
117 |
518.503 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.20 |
15.22 |
-42.84 |
4 |
9 |
1 |
118 |
519.511 |
6 |
↓
|
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 |
2 |
0.32 |
Binding ≤ 10μM
|
Z80036-1-O |
BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other |
Other |
295 |
0.24 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
1 |
0.33 |
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.