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)
|
2.05 |
5.4 |
-15.49 |
2 |
8 |
0 |
106 |
396.428 |
5 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q9N6S8-1-E |
Falcipain 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6200 |
0.26 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.