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)
|
4.97 |
11.24 |
-44.89 |
4 |
7 |
1 |
77 |
534.109 |
6 |
↓
|
Hi
High (pH 8-9.5)
|
4.97 |
8.88 |
-11.89 |
3 |
7 |
0 |
76 |
533.101 |
6 |
↓
|
Mid
Mid (pH 6-8)
|
4.97 |
11.12 |
-48.37 |
4 |
7 |
1 |
77 |
534.109 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
KIT-1-E |
Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
921 |
0.23 |
Binding ≤ 10μM
|
VGFR2-1-E |
Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
199 |
0.25 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Constitutive PI3K/AKT Signaling in Cancer |
|
EPHA-mediated growth cone collapse |
|
Integrin cell surface interactions |
|
Neurophilin interactions with VEGF and VEGFR |
|
PIP3 activates AKT signaling |
|
Regulation of KIT signaling |
|
Signaling by SCF-KIT |
|
VEGF binds to VEGFR leading to receptor dimerization |
|
VEGFA-VEGFR2 Pathway |
|
VEGFR2 mediated cell proliferation |
|
No pre-computed analogs available. Try a structural similarity search.