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)
|
2.09 |
4.53 |
-28.8 |
2 |
2 |
1 |
26 |
216.091 |
1 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
AOFB-3-E |
Monoamine Oxidase B (cluster #3 Of 8), Eukaryotic |
Eukaryotes |
3980 |
0.58 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
AOFB_RAT |
P19643
|
Monoamine Oxidase B, Rat |
3980 |
0.58 |
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.
