Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| July 5th, 2011 |
25 |
Yes
|
Popular Name:
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4,3-c]qui
2-[(3-cyclopropyl-1,2,4-oxadiazo…
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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)
|
1.45 |
8.58 |
-11.65 |
0 |
8 |
0 |
91 |
340.387 |
4 |
↓
|
Rings
-
Cyclopropane
-
1,2,4-oxadiazole
-
1,2,4-triazol-3-one
-
Pyrimidine
-
Cyclohexene
-
7,8,9,10-tetrahydro-2H-[1,2,4]tr…
-
2-[(3-cyclopropyl-1,2,4-oxadiazo…
No pre-computed analogs available. Try a structural similarity search.