|
charged imidazole (H)
(PDB scatterplots for all the above groups are identical, because the groups are indistinguishable in protein crystal structures; More Information)
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 |
5554 |
9939 |
|
|
| any polar X-H (X= N,O or S) |
840 |
9993 |
|
|
* 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 |
725 |
6215 |
|
|
| methylene |
217 |
1575 |
|
|
| methyl |
92 |
1047 |
|
|
| any aromatic C-H |
207 |
1905 |
|
|
| substituted aromatic carbon |
36 |
1051 |
|
|
| phenyl |
7 |
351 |
|
|
* 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 |
403 |
1088 |
|
|
| any uncharged NH |
168 |
* |
|
|
| any cationic NH |
226 |
* |
|
|
| aromatic cationic N-H |
134 |
* |
|
|
| amide NH |
16 |
291 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
1 |
* |
|
|
| cationic RNH3 |
73 |
64 |
|
|
| 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 |
437 |
9980 |
|
|
| alcohol OH |
38 |
3413 |
|
|
| phenol OH |
30 |
457 |
|
|
| water |
174 |
6745 |
|
|
* 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 |
15 |
810 |
|
|
| cyano |
|
45 |
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
3 |
370 |
|
|
| cationic planar R3N |
|
15 |
|
|
|
| any terminal O |
1154 |
4498 |
|
|
| any C=O |
649 |
4498 |
|
|
| amide C=O |
41 |
884 |
|
|
| ester C=O |
9 |
124 |
|
|
| carboxylate |
371 |
2498 |
|
|
| aliphatic ether |
|
1 |
|
|
| linking O in esters |
3 |
70 |
|
|
| aromatic O |
|
34 |
|
|
| sulfoxide/sulfone O |
1 |
14 |
|
|
| nitro |
44 |
* |
|
|
* 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 |
81 |
1060 |
|
|
| any C=S |
8 |
40 |
|
|
| aliphatic thioether |
|
122 |
|
|
| aromatic S |
|
105 |
|
|
* 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 |
13 |
387 |
|
|
| any C-Cl |
22 |
252 |
|
|
| any C-Br |
1 |
38 |
|
|
| any C-I |
|
6 |
|
|
| chloride ion |
103 |
61 |
|
|
| bromide ion |
22 |
3 |
|
|
| iodide ion |
37 |
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 |
|
7 |
|
|
| sodium ion |
|
25 |
|
|
| potassium ion |
|
10 |
|
|
| 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 |
1 |
576 |
|
|
| imidazole |
* |
12 |
|
|
| guanidinium |
* |
108 |
|
|
* This search has not been done.
|
|
