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)
|
3.84 |
-3.12 |
-7.56 |
2 |
2 |
0 |
40 |
242.299 |
1 |
↓
|
Vendor Notes
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ESR1-1-E |
Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
50 |
0.60 |
Binding ≤ 10μM
|
ESR2-4-E |
Estrogen Receptor Beta (cluster #4 Of 4), Eukaryotic |
Eukaryotes |
17 |
0.64 |
Binding ≤ 10μM
|
ESR2-1-E |
Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
10 |
0.66 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Nuclear Receptor transcription pathway |
|
Nuclear signaling by ERBB4 |
|
No pre-computed analogs available. Try a structural similarity search.