|
N-oxide (in any ring system)
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 |
9944 |
56 |
|
|
| any polar X-H (X= N,O or S) |
3612 |
49 |
|
|
* 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 |
4967 |
19 |
|
|
| methylene |
682 |
9 |
|
|
| methyl |
1946 |
1 |
|
|
| any aromatic C-H |
4989 |
3 |
|
|
| substituted aromatic carbon |
796 |
1 |
|
|
| phenyl |
647 |
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
|
N-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any NH |
945 |
16 |
|
|
| any uncharged NH |
405 |
* |
|
|
| any cationic NH |
101 |
* |
|
|
| aromatic cationic N-H |
12 |
* |
|
|
| amide NH |
73 |
7 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
53 |
* |
|
|
| cationic RNH3 |
6 |
1 |
|
|
| 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 |
2667 |
33 |
|
|
| alcohol OH |
142 |
|
|
|
| phenol OH |
241 |
2 |
|
|
| water |
458 |
31 |
|
|
* 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 |
528 |
|
|
|
| cyano |
84 |
|
|
|
| pyramidal R3N |
1 |
* |
|
|
| uncharged planar R3N |
62 |
|
|
|
| cationic planar R3N |
9 |
|
|
|
|
| any terminal O |
1676 |
9 |
|
|
| any C=O |
557 |
9 |
|
|
| amide C=O |
47 |
9 |
|
|
| ester C=O |
58 |
|
|
|
| carboxylate |
13 |
|
|
|
| aliphatic ether |
3 |
|
|
|
| linking O in esters |
41 |
|
|
|
| aromatic O |
31 |
|
|
|
| sulfoxide/sulfone O |
13 |
|
|
|
| nitro |
274 |
* |
|
|
* 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 |
156 |
|
|
|
| any C=S |
41 |
|
|
|
| aliphatic thioether |
|
|
|
|
| aromatic S |
25 |
|
|
|
* 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 |
312 |
|
|
|
| any C-Cl |
141 |
|
|
|
| any C-Br |
155 |
|
|
|
| any C-I |
142 |
|
|
|
| chloride ion |
2 |
|
|
|
| bromide ion |
1 |
|
|
|
| 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 |
5 |
|
|
|
| potassium ion |
7 |
|
|
|
| rubidium ion |
3 |
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
48 |
2 |
|
|
| imidazole |
* |
3 |
|
|
| guanidinium |
* |
1 |
|
|
* This search has not been done.
|
|
