Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
February 20th, 2006 |
20 |
Yes
|
Popular Name:
1H-3-Benzazepin-7-ol, 2,3,4,5-tetrahydro-8-(iodo-125I)-3-methyl-5-phenyl-, (+-)-; 8-(Iodo-125I)-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol; 8-iodo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepine-7-ol; C17H18INO; LS-172332; Sch 23982
1H-3-Benzazepin-7-ol, 2,3,4,5-te…
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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)
|
4.29 |
-0.74 |
-45.26 |
2 |
2 |
1 |
24 |
380.249 |
1 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
DRD1-1-E |
Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
13 |
0.55 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
1 |
0.63 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.