Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 5th, 2011 |
23 |
Yes
|
Popular Name:
N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
N-(4,5,6,7,8,9-hexahydrocyclooct…
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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)
|
2.91 |
9.82 |
-17.96 |
1 |
6 |
0 |
72 |
327.413 |
2 |
↓
|
Rings
-
4H-1,2,4-triazole
-
Thiazole
-
Pyridine
-
Cyclooctene
-
[1,2,4]triazolo[4,3-a]pyridine
-
4,5,6,7,8,9-hexahydrocycloocta[d…
-
N-(4,5,6,7,8,9-hexahydrocyclooct…
No pre-computed analogs available. Try a structural similarity search.