|
cyclohexyl
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 |
9752 |
3154 |
|
|
| any polar X-H (X= N,O or S) |
3433 |
908 |
|
|
* 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 |
4800 |
1173 |
|
|
| methylene |
1968 |
247 |
|
|
| methyl |
1996 |
591 |
|
|
| any aromatic C-H |
4837 |
478 |
|
|
| substituted aromatic carbon |
2459 |
142 |
|
|
| phenyl |
1422 |
168 |
|
|
* 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 |
1503 |
219 |
|
|
| any uncharged NH |
779 |
* |
|
|
| any cationic NH |
296 |
* |
|
|
| aromatic cationic N-H |
8 |
* |
|
|
| amide NH |
245 |
46 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
60 |
* |
|
|
| cationic RNH3 |
83 |
7 |
|
|
| 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 |
1909 |
660 |
|
|
| alcohol OH |
540 |
50 |
|
|
| phenol OH |
339 |
75 |
|
|
| water |
494 |
535 |
|
|
* 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 |
1096 |
5 |
|
|
| cyano |
377 |
|
|
|
| pyramidal R3N |
40 |
* |
|
|
| uncharged planar R3N |
449 |
1 |
|
|
| cationic planar R3N |
12 |
|
|
|
|
| any terminal O |
4897 |
569 |
|
|
| any C=O |
4663 |
569 |
|
|
| amide C=O |
614 |
268 |
|
|
| ester C=O |
521 |
|
|
|
| carboxylate |
1404 |
137 |
|
|
| aliphatic ether |
322 |
|
|
|
| linking O in esters |
275 |
|
|
|
| aromatic O |
102 |
|
|
|
| sulfoxide/sulfone O |
94 |
|
|
|
| nitro |
481 |
* |
|
|
* 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 |
2151 |
62 |
|
|
| any C=S |
380 |
|
|
|
| aliphatic thioether |
16 |
30 |
|
|
| aromatic S |
109 |
|
|
|
* 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 |
2645 |
|
|
|
| any C-Cl |
2294 |
|
|
|
| any C-Br |
538 |
|
|
|
| any C-I |
80 |
|
|
|
| chloride ion |
334 |
|
|
|
| bromide ion |
156 |
|
|
|
| iodide ion |
83 |
|
|
|
* 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 |
22 |
|
|
|
| potassium ion |
10 |
|
|
|
| rubidium ion |
4 |
|
|
|
| cesuim ion |
5 |
|
|
|
* 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 |
26 |
107 |
|
|
| imidazole |
* |
68 |
|
|
| guanidinium |
* |
71 |
|
|
* This search has not been done.
|
|
