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)
|
-5.75 |
-2.85 |
-194.48 |
17 |
22 |
1 |
385 |
716.774 |
24 |
↓
|
|
Mid
Mid (pH 6-8)
|
-5.77 |
-3.21 |
-154.73 |
16 |
22 |
0 |
386 |
715.766 |
23 |
↓
|
|
Mid
Mid (pH 6-8)
|
-5.75 |
-3.25 |
-155.07 |
16 |
22 |
0 |
384 |
715.766 |
24 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-5.77 |
-4.85 |
-189.63 |
18 |
22 |
2 |
385 |
717.782 |
23 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-5.75 |
-4.89 |
-189.5 |
18 |
22 |
2 |
382 |
717.782 |
24 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
ITA2B-1-E |
Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1700 |
0.16 |
Binding ≤ 10μM
|
|
ITB3-1-E |
Integrin Beta-3 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1700 |
0.16 |
Binding ≤ 10μM
|
|
Z104292-1-O |
Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other |
Other |
210 |
0.19 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
ECM proteoglycans |
|
|
Elastic fibre formation |
|
|
GRB2:SOS provides linkage to MAPK signaling for Integrins |
|
|
Integrin alphaIIb beta3 signaling |
|
|
Integrin cell surface interactions |
|
|
Molecules associated with elastic fibres |
|
|
p130Cas linkage to MAPK signaling for integrins |
|
|
PECAM1 interactions |
|
|
Platelet degranulation |
|
|
Signal transduction by L1 |
|
|
Syndecan interactions |
|
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.
