|
aliphatic-aliphatic thioether
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 |
9941 |
2261 |
|
|
| any polar X-H (X= N,O or S) |
293 |
760 |
|
|
* 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 |
4954 |
663 |
|
|
| methylene |
497 |
159 |
|
|
| methyl |
714 |
266 |
|
|
| any aromatic C-H |
1742 |
534 |
|
|
| substituted aromatic carbon |
114 |
39 |
|
|
| phenyl |
406 |
237 |
|
|
* 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 |
166 |
168 |
|
|
| any uncharged NH |
71 |
* |
|
|
| any cationic NH |
38 |
* |
|
|
| aromatic cationic N-H |
1 |
* |
|
|
| amide NH |
14 |
47 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
10 |
* |
|
|
| cationic RNH3 |
16 |
22 |
|
|
| 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 |
126 |
574 |
|
|
| alcohol OH |
28 |
40 |
|
|
| phenol OH |
9 |
179 |
|
|
| water |
29 |
355 |
|
|
* 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 |
29 |
16 |
|
|
| cyano |
17 |
|
|
|
| pyramidal R3N |
1 |
* |
|
|
| uncharged planar R3N |
34 |
7 |
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
255 |
451 |
|
|
| any C=O |
251 |
451 |
|
|
| amide C=O |
33 |
279 |
|
|
| ester C=O |
34 |
|
|
|
| carboxylate |
36 |
62 |
|
|
| aliphatic ether |
1 |
|
|
|
| linking O in esters |
26 |
|
|
|
| aromatic O |
2 |
|
|
|
| sulfoxide/sulfone O |
2 |
|
|
|
| nitro |
13 |
* |
|
|
* 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 |
334 |
15 |
|
|
| any C=S |
20 |
|
|
|
| aliphatic thioether |
262 |
4 |
|
|
| aromatic S |
11 |
|
|
|
* 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 |
46 |
1 |
|
|
| any C-Cl |
36 |
|
|
|
| any C-Br |
18 |
|
|
|
| any C-I |
1 |
|
|
|
| chloride ion |
18 |
|
|
|
| bromide ion |
|
|
|
|
| iodide ion |
1 |
|
|
|
* 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 |
1 |
|
|
|
| potassium ion |
3 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* 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 |
9 |
90 |
|
|
| imidazole |
* |
113 |
|
|
| guanidinium |
* |
75 |
|
|
* This search has not been done.
|
|
