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)
|
2.58 |
6.95 |
-47.03 |
2 |
4 |
1 |
37 |
267.356 |
1 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
16 |
0.55 |
Binding ≤ 10μM
|
5HT3B-1-E |
Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
16 |
0.55 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.