|
uncharged quinoline
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 |
9982 |
3983 |
|
|
| any polar X-H (X= N,O or S) |
3350 |
853 |
|
|
* 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 |
4960 |
1246 |
|
|
| methylene |
1730 |
371 |
|
|
| methyl |
1942 |
519 |
|
|
| any aromatic C-H |
4989 |
712 |
|
|
| substituted aromatic carbon |
2481 |
88 |
|
|
| phenyl |
1419 |
298 |
|
|
* 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 |
1637 |
307 |
|
|
| any uncharged NH |
1234 |
* |
|
|
| any cationic NH |
103 |
* |
|
|
| aromatic cationic N-H |
60 |
* |
|
|
| amide NH |
814 |
124 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
92 |
* |
|
|
| cationic RNH3 |
8 |
19 |
|
|
| 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 |
1704 |
533 |
|
|
| alcohol OH |
362 |
51 |
|
|
| phenol OH |
360 |
41 |
|
|
| water |
324 |
441 |
|
|
* 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 |
3316 |
15 |
|
|
| cyano |
123 |
|
|
|
| pyramidal R3N |
8 |
* |
|
|
| uncharged planar R3N |
96 |
2 |
|
|
| cationic planar R3N |
2 |
|
|
|
|
| any terminal O |
1478 |
700 |
|
|
| any C=O |
1427 |
700 |
|
|
| amide C=O |
706 |
280 |
|
|
| ester C=O |
201 |
|
|
|
| carboxylate |
29 |
295 |
|
|
| aliphatic ether |
33 |
|
|
|
| linking O in esters |
172 |
|
|
|
| aromatic O |
28 |
|
|
|
| sulfoxide/sulfone O |
35 |
|
|
|
| nitro |
230 |
* |
|
|
* 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 |
314 |
52 |
|
|
| any C=S |
53 |
|
|
|
| aliphatic thioether |
21 |
37 |
|
|
| aromatic S |
74 |
|
|
|
* 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 |
880 |
|
|
|
| any C-Cl |
889 |
|
|
|
| any C-Br |
222 |
|
|
|
| any C-I |
115 |
|
|
|
| chloride ion |
20 |
|
|
|
| bromide ion |
2 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
1 |
|
|
|
| potassium ion |
6 |
|
|
|
| rubidium ion |
6 |
|
|
|
| cesuim 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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
25 |
59 |
|
|
| imidazole |
* |
47 |
|
|
| guanidinium |
* |
44 |
|
|
* This search has not been done.
|
|
