Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 28th, 2006 |
26 |
No
|
Other Names:
(+)-Aldosterone; (11b)-11,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al; (11beta)-11,21-dihydroxy-3,20-dioxo-Pregn-4-en-18-al; 11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al; 11-Hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetra
(+)-Aldosterone;(11b)-11,21-dihydroxy-3,20-dioxo-pregn-4-en-18-al;(11beta)-11,21-dihydroxy-3,20-dioxo-Pregn-4-en-18-al;11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al;11-Hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradeca
(2R,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde
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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)
|
1.16 |
6.6 |
-15.07 |
2 |
5 |
0 |
92 |
360.45 |
3 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
