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)
|
7.16 |
1.38 |
-8.98 |
0 |
3 |
0 |
27 |
423.723 |
7 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z101843-2-O |
Human Coxsackievirus B2 (cluster #2 Of 3), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z101846-1-O |
Human Echovirus 6 (cluster #1 Of 2), Other |
Other |
9 |
0.42 |
Functional ≤ 10μM
|
Z101847-1-O |
Human Enterovirus 68 (cluster #1 Of 1), Other |
Other |
3470 |
0.28 |
Functional ≤ 10μM
|
Z103013-1-O |
Human Coxsackievirus A9 (cluster #1 Of 2), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z50615-1-O |
Human Echovirus 9 (cluster #1 Of 2), Other |
Other |
9 |
0.42 |
Functional ≤ 10μM
|
Z50617-2-O |
Human Coxsackievirus B3 (cluster #2 Of 2), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z50618-1-O |
Human Coxsackievirus B5 (cluster #1 Of 2), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z50667-1-O |
Human Coxsackievirus B1 (cluster #1 Of 2), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z50668-1-O |
Human Coxsackievirus B4 (cluster #1 Of 2), Other |
Other |
3790 |
0.28 |
Functional ≤ 10μM
|
Z50669-1-O |
Human Echovirus 11 (cluster #1 Of 1), Other |
Other |
9 |
0.42 |
Functional ≤ 10μM
|
Z50731-1-O |
Echovirus (cluster #1 Of 1), Other |
Other |
9 |
0.42 |
Functional ≤ 10μM
|
Z50746-1-O |
Human Enterovirus 71 (cluster #1 Of 2), Other |
Other |
3470 |
0.28 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.