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)
|
5.84 |
12.59 |
-9.79 |
1 |
5 |
0 |
45 |
441.575 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ACES-1-E |
Acetylcholinesterase (cluster #1 Of 12), Eukaryotic |
Eukaryotes |
550 |
0.27 |
Binding ≤ 10μM
|
CHLE-1-E |
Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic |
Eukaryotes |
1790 |
0.24 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Neurotransmitter Clearance In The Synaptic Cleft |
|
Synthesis of PC |
|
Synthesis, secretion, and deacylation of Ghrelin |
|
No pre-computed analogs available. Try a structural similarity search.