Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
July 18th, 2011 |
25 |
Yes
|
Popular Name:
N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(3-oxo-6,7,8,9-tetrahydro-
N-[(6R)-3-methyl-5,6,7,8-tetrahy…
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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)
|
-0.89 |
7.46 |
-26.76 |
1 |
9 |
0 |
100 |
345.407 |
3 |
↓
|
Rings
-
4H-1,2,4-triazole
-
1,2,4-triazol-3-one
-
2,3,4,5-tetrahydropyridine
-
3,4,5,6-tetrahydro-2H-azepine
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
-
2,5,6,7,8,9-hexahydro-[1,2,4]tri…
-
2-(3-keto-6,7,8,9-tetrahydro-5H-…
No pre-computed analogs available. Try a structural similarity search.