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)
|
-3.89 |
-5.39 |
-83.97 |
10 |
14 |
0 |
240 |
455.472 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
-3.89 |
-7.38 |
-50.76 |
11 |
14 |
1 |
238 |
456.48 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
-4.02 |
-7.33 |
-50.71 |
11 |
14 |
1 |
240 |
456.48 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ITAV-1-E |
Vitronectin Receptor Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
13 |
0.35 |
Binding ≤ 10μM
|
ITB5-1-E |
Integrin Beta-5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
13 |
0.35 |
Binding ≤ 10μM
|
Z104292-1-O |
Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other |
Other |
7 |
0.36 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Cross-presentation of particulate exogenous antigens (phagosomes) |
|
ECM proteoglycans |
|
Elastic fibre formation |
|
Integrin cell surface interactions |
|
Laminin interactions |
|
Molecules associated with elastic fibres |
|
PECAM1 interactions |
|
Signal transduction by L1 |
|
Smooth Muscle Contraction |
|
Syndecan interactions |
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.