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)
|
5.06 |
11.99 |
-16.78 |
0 |
5 |
0 |
66 |
393.222 |
6 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
AOFB-4-E |
Monoamine Oxidase B (cluster #4 Of 8), Eukaryotic |
Eukaryotes |
9 |
0.43 |
Binding ≤ 10μM |
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
AOFB_HUMAN |
P27338
|
Monoamine Oxidase B, Human |
9.47 |
0.43 |
Binding ≤ 1μM |
|
AOFB_HUMAN |
P27338
|
Monoamine Oxidase B, Human |
9.47 |
0.43 |
Binding ≤ 10μM |
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
|
No pre-computed analogs available. Try a structural similarity search.
