Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 5th, 2008 |
27 |
Yes
|
Popular Name:
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-3-ylmethyl)-4,5-dihydrobenzo[g]benzothiophene-
N-(6,7,8,9-tetrahydro-5H-[1,2,4]…
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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)
|
3.27 |
10.68 |
-13.18 |
1 |
5 |
0 |
60 |
378.501 |
3 |
↓
|
Rings
-
4H-1,2,4-triazole
-
Thiophene
-
Benzene
-
Cyclohexa-1,3-diene
-
3,4,5,6-tetrahydro-2H-azepine
-
6,7,8,9-tetrahydro-5H-[1,2,4]tri…
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](//zinc12.docking.org/img/rings/3619.gif)
-
4,5-dihydrobenzo[g]benzothiophene
![4,5-dihydrobenzo[g]benzothiophene](//zinc12.docking.org/img/rings/16333.gif)
-
N-(6,7,8,9-tetrahydro-5H-[1,2,4]…
![N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide](//zinc12.docking.org/img/rings/238283.gif)
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
![4,5-dihydrobenzo[g]benzothiophene](http://zinc12.docking.org/img/rings/16333.gif)
![N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide](http://zinc12.docking.org/img/rings/238283.gif)