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)
|
4.29 |
9.37 |
-40.62 |
4 |
5 |
1 |
69 |
460.589 |
9 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
BACE1-1-E |
Beta-secretase 1 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
410 |
0.27 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.