|
dioxane
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
General
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C,N,O,S or H |
9642 |
* |
|
|
any polar X-H (X= N,O or S) |
1981 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
C,H only
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any alkyl C-H |
4769 |
* |
|
|
methylene |
824 |
* |
|
|
methyl |
1847 |
* |
|
|
any aromatic C-H |
4797 |
* |
|
|
substituted aromatic carbon |
1909 |
* |
|
|
phenyl |
770 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
N-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any NH |
846 |
* |
|
|
any uncharged NH |
404 |
* |
|
|
any cationic NH |
161 |
* |
|
|
aromatic cationic N-H |
11 |
* |
|
|
amide NH |
78 |
* |
|
|
uncharged C(sp2)/C(ar)-NH2 |
91 |
* |
|
|
cationic RNH3 |
11 |
* |
|
|
cationic R3NH |
|
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
O-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any OH |
1131 |
* |
|
|
alcohol OH |
146 |
* |
|
|
phenol OH |
217 |
* |
|
|
water |
87 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Other N or O
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
aromatic or sp2 N |
353 |
* |
|
|
cyano |
336 |
* |
|
|
pyramidal R3N |
9 |
* |
|
|
uncharged planar R3N |
106 |
* |
|
|
cationic planar R3N |
6 |
* |
|
|
any terminal O |
1338 |
* |
|
|
any C=O |
813 |
* |
|
|
amide C=O |
104 |
* |
|
|
ester C=O |
98 |
* |
|
|
carboxylate |
26 |
* |
|
|
aliphatic ether |
1357 |
* |
|
|
linking O in esters |
40 |
* |
|
|
aromatic O |
34 |
* |
|
|
sulfoxide/sulfone O |
28 |
* |
|
|
nitro |
249 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Sulfur
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any S |
295 |
* |
|
|
any C=S |
48 |
* |
|
|
aliphatic thioether |
10 |
* |
|
|
aromatic S |
66 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Halo/Halide
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C-F |
437 |
* |
|
|
any C-Cl |
255 |
* |
|
|
any C-Br |
81 |
* |
|
|
any C-I |
72 |
* |
|
|
chloride ion |
31 |
* |
|
|
bromide ion |
30 |
* |
|
|
iodide ion |
12 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
Alkali Metal
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
lithium ion |
|
* |
|
|
sodium ion |
|
* |
|
|
potassium ion |
1 |
* |
|
|
rubidium ion |
10 |
* |
|
|
cesuim ion |
7 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
Amino acid
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
CONH2 |
51 |
* |
|
|
imidazole |
* |
* |
|
|
guanidinium |
* |
* |
|
|
* This search has not been done.
|
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