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)
|
-4.79 |
0.21 |
-176.06 |
11 |
14 |
0 |
259 |
445.477 |
15 |
↓
|
|
Hi
High (pH 8-9.5)
|
-4.79 |
0.11 |
-139.7 |
10 |
14 |
-1 |
257 |
444.469 |
15 |
↓
|
|
Lo
Low (pH 4.5-6)
|
-4.79 |
-1.54 |
-133.75 |
12 |
14 |
1 |
256 |
446.485 |
15 |
↓
|
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 |
6000 |
0.24 |
Binding ≤ 10μM |
|
ITB3-1-E |
Integrin Beta-3 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6000 |
0.24 |
Binding ≤ 10μM |
|
ITA2B-1-E |
Integrin Alpha-IIb (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
10000 |
0.23 |
Functional ≤ 10μM |
|
ITB3-1-E |
Integrin Beta-3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
10000 |
0.23 |
Functional ≤ 10μM |
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 1), Other |
Other |
6000 |
0.24 |
Binding ≤ 10μM |
|
Z50587-4-O |
Homo Sapiens (cluster #4 Of 9), Other |
Other |
10000 |
0.23 |
Functional ≤ 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.
