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)
|
2.95 |
7.06 |
-14.42 |
2 |
6 |
0 |
84 |
362.364 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ROCK2-1-E |
Rho-associated Protein Kinase 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3 |
0.44 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
EPHA-mediated growth cone collapse |
|
EPHB-mediated forward signaling |
|
G alpha (12/13) signalling events |
|
Sema4D induced cell migration and growth-cone collapse |
|
VEGFA-VEGFR2 Pathway |
|
No pre-computed analogs available. Try a structural similarity search.