|
uncharged imidazole
(PDB scatterplots for charged and uncharged imidazole 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 |
9990 |
1992 |
|
|
| any polar X-H (X= N,O or S) |
2542 |
843 |
|
|
* 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 |
3771 |
749 |
|
|
| methylene |
434 |
161 |
|
|
| methyl |
989 |
375 |
|
|
| any aromatic C-H |
2676 |
309 |
|
|
| substituted aromatic carbon |
649 |
30 |
|
|
| phenyl |
407 |
58 |
|
|
* 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 |
1494 |
188 |
|
|
| any uncharged NH |
1162 |
* |
|
|
| any cationic NH |
184 |
* |
|
|
| aromatic cationic N-H |
80 |
* |
|
|
| amide NH |
103 |
24 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
21 |
* |
|
|
| cationic RNH3 |
42 |
99 |
|
|
| 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 |
1048 |
613 |
|
|
| alcohol OH |
157 |
51 |
|
|
| phenol OH |
129 |
102 |
|
|
| water |
396 |
460 |
|
|
* 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 |
1199 |
14 |
|
|
| cyano |
121 |
|
|
|
| pyramidal R3N |
3 |
* |
|
|
| uncharged planar R3N |
30 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
1031 |
317 |
|
|
| any C=O |
720 |
317 |
|
|
| amide C=O |
178 |
113 |
|
|
| ester C=O |
91 |
|
|
|
| carboxylate |
98 |
144 |
|
|
| aliphatic ether |
39 |
|
|
|
| linking O in esters |
62 |
|
|
|
| aromatic O |
8 |
|
|
|
| sulfoxide/sulfone O |
19 |
|
|
|
| nitro |
180 |
* |
|
|
* 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 |
144 |
35 |
|
|
| any C=S |
27 |
|
|
|
| aliphatic thioether |
9 |
22 |
|
|
| aromatic S |
18 |
|
|
|
* 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 |
69 |
|
|
|
| any C-Cl |
82 |
|
|
|
| any C-Br |
45 |
|
|
|
| any C-I |
90 |
|
|
|
| chloride ion |
41 |
|
|
|
| bromide ion |
16 |
|
|
|
| iodide ion |
14 |
|
|
|
* 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 |
3 |
|
|
|
| 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 |
23 |
89 |
|
|
| imidazole |
* |
54 |
|
|
| guanidinium |
* |
66 |
|
|
* This search has not been done.
|
|
