Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 9th, 2011 |
27 |
Yes
|
Popular Name:
(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[(9S)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a
(3-phenyl-1,4,6,7-tetrahydropyra…
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)
|
1.31 |
6.56 |
-18.71 |
1 |
8 |
0 |
93 |
363.425 |
2 |
↓
|
Rings
-
Tetrazole
-
1H-pyrazole
-
1,2,3,6-tetrahydropyridine
-
Benzene
-
3,4,5,6-tetrahydro-2H-azepine
-
4,5,6,7-tetrahydro-1H-pyrazolo[4…
![4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine](//zinc12.docking.org/img/rings/22531.gif)
-
6,7,8,9-tetrahydro-5H-tetrazolo[…
![6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine](//zinc12.docking.org/img/rings/397161.gif)
-
(3-phenyl-1,4,6,7-tetrahydropyra…
![(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl)methanone](//zinc12.docking.org/img/rings/523725.gif)
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine](http://zinc12.docking.org/img/rings/22531.gif)
![6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine](http://zinc12.docking.org/img/rings/397161.gif)
![(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl)methanone](http://zinc12.docking.org/img/rings/523725.gif)