Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| May 4th, 2011 |
24 |
Yes
|
Popular Name:
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3,4-dihydro-2H-1,5-benzodiox
N-[(6R)-3-methyl-5,6,7,8-tetrahy…
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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)
|
0.55 |
6.67 |
-21.31 |
1 |
7 |
0 |
78 |
328.372 |
2 |
↓
|
Rings
-
4H-1,2,4-triazole
-
2,3,4,5-tetrahydropyridine
-
Benzene
-
6,7-dihydro-5H-1,4-dioxepine
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine](//zinc12.docking.org/img/rings/19566.gif)
-
3,4-dihydro-2H-1,5-benzodioxepine
-
N-(5,6,7,8-tetrahydro-[1,2,4]tri…
![N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide](//zinc12.docking.org/img/rings/263648.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/19566.gif)
![N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide](http://zinc12.docking.org/img/rings/263648.gif)