Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 27th, 2010 |
30 |
Yes
|
Popular Name:
(6S,7R)-7-[2-[(7aR)-4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxo-ethyl]-2,2,6-trimethyl-3,4,
(6S,7R)-7-[2-[(7aR)-4,6,7,7a-tet…
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SMILES
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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)
|
2.69 |
9.02 |
-20.12 |
0 |
7 |
0 |
81 |
409.486 |
2 |
↓
|
Rings
-
4H-imidazole
-
3,4-dihydro-2H-pyran
-
Benzene
-
3,4-dihydropyran-2-one
-
3-piperidylideneamine
-
5,6,7,7a-tetrahydro-4H-imidazo[4…
![5,6,7,7a-tetrahydro-4H-imidazo[4,5-c]pyridine](//zinc12.docking.org/img/rings/591450.gif)
-
3,4,6,7-tetrahydro-2H-pyrano[3,2…
![3,4,6,7-tetrahydro-2H-pyrano[3,2-g]chromen-8-one](//zinc12.docking.org/img/rings/343348.gif)
-
3-[2-(4,6,7,7a-tetrahydroimidazo…
![3-[2-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-keto-ethyl]-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-2-one](//zinc12.docking.org/img/rings/591548.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,7a-tetrahydro-4H-imidazo[4,5-c]pyridine](http://zinc12.docking.org/img/rings/591450.gif)
![3,4,6,7-tetrahydro-2H-pyrano[3,2-g]chromen-8-one](http://zinc12.docking.org/img/rings/343348.gif)
![3-[2-(4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-keto-ethyl]-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-2-one](http://zinc12.docking.org/img/rings/591548.gif)