|
indole
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 |
9964 |
4205 |
|
|
| any polar X-H (X= N,O or S) |
4991 |
1125 |
|
|
* 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 |
4971 |
1777 |
|
|
| methylene |
1980 |
514 |
|
|
| methyl |
1988 |
696 |
|
|
| any aromatic C-H |
4979 |
499 |
|
|
| substituted aromatic carbon |
2495 |
78 |
|
|
| phenyl |
1385 |
265 |
|
|
* 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 |
4099 |
408 |
|
|
| any uncharged NH |
3508 |
* |
|
|
| any cationic NH |
183 |
* |
|
|
| aromatic cationic N-H |
22 |
* |
|
|
| amide NH |
294 |
158 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
76 |
* |
|
|
| cationic RNH3 |
80 |
35 |
|
|
| cationic R3NH |
3 |
* |
|
|
* 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 |
1463 |
696 |
|
|
| alcohol OH |
472 |
70 |
|
|
| phenol OH |
155 |
65 |
|
|
| water |
391 |
561 |
|
|
* 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 |
898 |
52 |
|
|
| cyano |
421 |
|
|
|
| pyramidal R3N |
51 |
* |
|
|
| uncharged planar R3N |
272 |
8 |
|
|
| cationic planar R3N |
52 |
|
|
|
|
| any terminal O |
4989 |
746 |
|
|
| any C=O |
4151 |
746 |
|
|
| amide C=O |
657 |
400 |
|
|
| ester C=O |
860 |
|
|
|
| carboxylate |
316 |
122 |
|
|
| aliphatic ether |
86 |
|
|
|
| linking O in esters |
390 |
|
|
|
| aromatic O |
62 |
|
|
|
| sulfoxide/sulfone O |
206 |
|
|
|
| nitro |
566 |
* |
|
|
* 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 |
861 |
76 |
|
|
| any C=S |
87 |
|
|
|
| aliphatic thioether |
25 |
50 |
|
|
| aromatic S |
67 |
|
|
|
* 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 |
833 |
|
|
|
| any C-Cl |
748 |
|
|
|
| any C-Br |
538 |
|
|
|
| any C-I |
42 |
|
|
|
| chloride ion |
146 |
|
|
|
| bromide ion |
43 |
|
|
|
| iodide ion |
67 |
|
|
|
* 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 |
|
|
|
|
| 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 |
44 |
185 |
|
|
| imidazole |
* |
132 |
|
|
| guanidinium |
* |
167 |
|
|
* This search has not been done.
|
|
