Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| August 19th, 2011 |
36 |
No
|
Popular Name:
(3aR,5aS,6Z,8S,9R,9aR,9bR)-2-(1,3-benzodioxol-5-ylmethyl)-6-benzyloxyimino-8,9-dihydroxy-4,5,5a,7,8,
(3aR,5aS,6Z,8S,9R,9aR,9bR)-2-(1,…
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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)
|
2.35 |
7.54 |
-14.23 |
2 |
9 |
0 |
118 |
492.528 |
5 |
↓
|
Rings
-
1,3-dioxole
-
Benzene
-
Cyclohexane
-
Succinimide
-
Cyclohexylideneamine
-
1,3-benzodioxole
-
6-imino-4,5,5a,7,8,9,9a,9b-octah…
-
6-benzyloximino-2-piperonyl-4,5,…
No pre-computed analogs available. Try a structural similarity search.