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)
|
1.36 |
3.93 |
-56.23 |
4 |
4 |
1 |
70 |
259.329 |
3 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ROCK1-2-E |
Rho-associated Protein Kinase 1 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
81 |
0.52 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Apoptotic cleavage of cellular proteins |
|
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.