Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| April 27th, 2011 |
33 |
No
|
Other Names:
EINECS 212-730-9; Glycine, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-, monosodium salt; Glycine, N-choloyl-, monosodium salt; Glycocholate sodium; Glycocholate sodium salt; Glycocholic acid sodium salt; LS-72410; Monosodium gl
Glycocholate sodium;Glycocholate sodium salt;Glycocholic acid sodium salt;Monosodium glycocholic acid;N-Choloylglycine, monosodium salt;Sodium glycocholate;Sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate
sodium 2-{[4-(3,7,12-trihydroxy-10,13-dimethylperhydrocyclopenta[a]phenanthren-17-yl)pentanoyl]amino}acetate hydrate
Sodium glycocholate
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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)
|
1.52 |
2.44 |
-46.69 |
4 |
7 |
-1 |
130 |
464.623 |
6 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
