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)
|
4.26 |
16.64 |
-136.87 |
4 |
9 |
2 |
102 |
578.643 |
9 |
↓
|
|
Ref
Reference (pH 7)
|
4.33 |
12.99 |
-49.42 |
3 |
9 |
1 |
104 |
577.635 |
9 |
↓
|
|
Hi
High (pH 8-9.5)
|
4.26 |
12.91 |
-17.97 |
2 |
9 |
0 |
99 |
576.627 |
9 |
↓
|
|
Hi
High (pH 8-9.5)
|
4.33 |
10.59 |
-14.25 |
2 |
9 |
0 |
103 |
576.627 |
9 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.26 |
15.31 |
-54.14 |
3 |
9 |
1 |
100 |
577.635 |
9 |
↓
|
|
Lo
Low (pH 4.5-6)
|
4.33 |
14.31 |
-127.47 |
4 |
9 |
2 |
105 |
578.643 |
9 |
↓
|
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 |
26 |
0.25 |
Binding ≤ 10μM
|
|
LYN-1-E |
Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
11 |
0.27 |
Binding ≤ 10μM
|
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
11 |
0.27 |
Functional ≤ 10μM
|
|
Z80566-1-O |
U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other |
Other |
10000 |
0.17 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge |
|
|
CD28 co-stimulation |
|
|
CDO in myogenesis |
|
|
Cell surface interactions at the vascular wall |
|
|
CTLA4 inhibitory signaling |
|
|
EPH-ephrin mediated repulsion of cells |
|
|
EPH-Ephrin signaling |
|
|
EPHA-mediated growth cone collapse |
|
|
EPHB-mediated forward signaling |
|
|
Factors involved in megakaryocyte development and platelet production |
|
|
Fc epsilon receptor (FCERI) signaling |
|
|
FCERI mediated Ca+2 mobilization |
|
|
FCERI mediated MAPK activation |
|
|
FCERI mediated NF-kB activation |
|
|
FCGR activation |
|
|
GPVI-mediated activation cascade |
|
|
Growth hormone receptor signaling |
|
|
PECAM1 interactions |
|
|
Platelet Adhesion to exposed collagen |
|
|
Regulation of actin dynamics for phagocytic cup formation |
|
|
Regulation of KIT signaling |
|
|
Regulation of signaling by CBL |
|
|
Role of Abl in Robo-Slit signaling |
|
|
Role of LAT2/NTAL/LAB on calcium mobilization |
|
|
Signaling by SCF-KIT |
|
No pre-computed analogs available. Try a structural similarity search.
