Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| April 13th, 2009 |
24 |
No
|
Other Names:
(+)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate; Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (+)-; LS-17467
(-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneacetate; Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneacetate, (-)-; Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-, iodide, (-
LS-17464
Download:
MOL2
SDF
SMILES
Flexibase
Annotations
-
-
- LS-17463
- LS-17464
- LS-17467
- LS-17462
-
Vendors
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)
|
0.70 |
14.47 |
-32.58 |
0 |
3 |
1 |
26 |
332.508 |
9 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
