Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 20th, 2011 |
20 |
Yes
|
Popular Name:
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]tetrazolo[5,1-f]pyridazin-6-a
N-[(6R)-3-methyl-5,6,7,8-tetrahy…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
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)
|
-0.27 |
4.7 |
-27.39 |
1 |
9 |
0 |
99 |
271.288 |
2 |
↓
|
Rings
-
Tetrazole
-
4H-1,2,4-triazole
-
Pyridazine
-
2,3,4,5-tetrahydropyridine
-
Tetrazolo[5,1-f]pyridazine
![Tetrazolo[5,1-f]pyridazine](//zinc12.docking.org/img/rings/11331.gif)
-
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)
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl(tetrazolo[5,1-f]pyridazin-6-yl)amine](//zinc12.docking.org/img/rings/431099.gif)
No pre-computed analogs available. Try a structural similarity search.
![Tetrazolo[5,1-f]pyridazine](http://zinc12.docking.org/img/rings/11331.gif)
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/19566.gif)
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl(tetrazolo[5,1-f]pyridazin-6-yl)amine](http://zinc12.docking.org/img/rings/431099.gif)