Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 21st, 2010 |
19 |
No
|
Popular Name:
2-[[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methyl-1,2,4-triazo
2-[[(4aS,8R,8aR)-8-methyl-3,4,4a…
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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)
|
1.95 |
12.1 |
-35.85 |
1 |
4 |
1 |
27 |
281.449 |
2 |
↓
|
Rings
-
1,2,4-triazole-3-thione
-
1,4-dihydro-1,2,4-triazole-5-thione
-
Piperidine
-
Cyclohexane
-
1,2,3,4,4a,5,6,7,8,8a-decahydroq…
-
2-(3,4,4a,5,6,7,8,8a-octahydro-2…
No pre-computed analogs available. Try a structural similarity search.
