Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 14th, 2011 |
23 |
Yes
|
Popular Name:
N4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-N2,N2-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidi
N4-[2-(3,5-dimethyl-1,2,4-triazo…
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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)
|
0.26 |
8.07 |
-55.66 |
3 |
8 |
1 |
88 |
317.421 |
5 |
↓
|
Rings
-
1H-1,2,4-triazole
-
4H-1,2,4-triazole
-
Pyrimidine
-
1,2,3,6-tetrahydropyridine
-
5,6,7,8-tetrahydropyrido[3,4-d]p…
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine](//zinc12.docking.org/img/rings/25634.gif)
-
5,6,7,8-tetrahydropyrido[3,4-d]p…
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl-[2-(1,2,4-triazol-1-yl)ethyl]amine](//zinc12.docking.org/img/rings/578866.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/25634.gif)
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl-[2-(1,2,4-triazol-1-yl)ethyl]amine](http://zinc12.docking.org/img/rings/578866.gif)