Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| June 6th, 2007 |
46 |
No
|
Other Names:
(+)-2,2'-Dimethylbebeerine; (+)-Curarine; 13H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-18,29-dimethoxy-1,1,14,14-tetramethyl-, (13aS,25aS)-; 13
(1'-alpha)-7',12'-Dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyltubocuraranium diiodide; Bebeerine dimethiodide; LS-158178; Tubocuraranium, 7',12'-dihydroxy-6,6'-dimethoxy-2,2,2',2'-tetramethyl-, diiodide, (1'-alpha)-; d-Chondrodendrine dimethiodide; d-N-
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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)
|
-1.99 |
4.74 |
-89.22 |
2 |
8 |
2 |
77 |
624.778 |
2 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
