Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 19th, 2008 |
29 |
Yes
|
Popular Name:
(2S,3aS,7aS)-1-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-
(2S,3aS,7aS)-1-[2-(6,7,8,9-tetra…
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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)
|
3.40 |
11.44 |
-51.55 |
0 |
6 |
-1 |
83 |
396.463 |
4 |
↓
|
Rings
-
Furan
-
Pyrrolidine
-
Benzene
-
Cyclohexane
-
Cyclohexene
-
2,3,3a,4,5,6,7,7a-octahydro-1H-i…
-
1,2,3,4-tetrahydrodibenzofuran
-
1-(2,3,3a,4,5,6,7,7a-octahydroin…
No pre-computed analogs available. Try a structural similarity search.