|
guanidinio
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 |
9967 |
3716 |
|
|
| any polar X-H (X= N,O or S) |
4994 |
865 |
|
|
* 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 |
4994 |
616 |
|
|
| methylene |
1296 |
20 |
|
|
| methyl |
1306 |
17 |
|
|
| any aromatic C-H |
3600 |
|
|
|
| substituted aromatic carbon |
320 |
66 |
|
|
| phenyl |
278 |
6 |
|
|
* 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 |
4994 |
177 |
|
|
| any uncharged NH |
343 |
* |
|
|
| any cationic NH |
4884 |
* |
|
|
| aromatic cationic N-H |
16 |
* |
|
|
| amide NH |
75 |
31 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
47 |
* |
|
|
| cationic RNH3 |
112 |
|
|
|
| cationic R3NH |
4 |
* |
|
|
* 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 |
4730 |
630 |
|
|
| alcohol OH |
207 |
80 |
|
|
| phenol OH |
103 |
91 |
|
|
| water |
2736 |
459 |
|
|
* 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 |
1979 |
10 |
|
|
| cyano |
116 |
|
|
|
| pyramidal R3N |
4 |
* |
|
|
| uncharged planar R3N |
5 |
5 |
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
4994 |
1087 |
|
|
| any C=O |
4994 |
1087 |
|
|
| amide C=O |
178 |
306 |
|
|
| ester C=O |
84 |
|
|
|
| carboxylate |
1424 |
723 |
|
|
| aliphatic ether |
163 |
|
|
|
| linking O in esters |
19 |
|
|
|
| aromatic O |
161 |
|
|
|
| sulfoxide/sulfone O |
14 |
|
|
|
| nitro |
1641 |
* |
|
|
* 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 |
4773 |
76 |
|
|
| any C=S |
228 |
|
|
|
| aliphatic thioether |
|
44 |
|
|
| aromatic S |
26 |
|
|
|
* 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 |
86 |
|
|
|
| any C-Cl |
175 |
|
|
|
| any C-Br |
72 |
|
|
|
| any C-I |
16 |
|
|
|
| chloride ion |
397 |
|
|
|
| bromide ion |
43 |
|
|
|
| iodide ion |
56 |
|
|
|
* 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 |
34 |
|
|
|
| potassium ion |
23 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
2 |
|
|
|
* 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 |
153 |
146 |
|
|
| imidazole |
* |
|
|
|
| guanidinium |
* |
60 |
|
|
* This search has not been done.
|
|
