|
peptide
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 |
9986 |
9970 |
|
|
| any polar X-H (X= N,O or S) |
3882 |
9994 |
|
|
* 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 |
4958 |
9994 |
|
|
| methylene |
1051 |
2524 |
|
|
| methyl |
1908 |
3411 |
|
|
| any aromatic C-H |
1146 |
3323 |
|
|
| substituted aromatic carbon |
135 |
796 |
|
|
| phenyl |
509 |
942 |
|
|
* 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 |
2684 |
4355 |
|
|
| any uncharged NH |
1856 |
* |
|
|
| any cationic NH |
704 |
* |
|
|
| aromatic cationic N-H |
5 |
* |
|
|
| amide NH |
1583 |
1314 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
115 |
* |
|
|
| cationic RNH3 |
410 |
234 |
|
|
| 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 |
1198 |
9994 |
|
|
| alcohol OH |
160 |
4988 |
|
|
| phenol OH |
50 |
275 |
|
|
| water |
569 |
9994 |
|
|
* 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 |
45 |
3321 |
|
|
| cyano |
22 |
237 |
|
|
| pyramidal R3N |
2 |
* |
|
|
| uncharged planar R3N |
31 |
595 |
|
|
| cationic planar R3N |
|
75 |
|
|
|
| any terminal O |
3016 |
4987 |
|
|
| any C=O |
3543 |
4987 |
|
|
| amide C=O |
1647 |
1993 |
|
|
| ester C=O |
143 |
468 |
|
|
| carboxylate |
715 |
2487 |
|
|
| aliphatic ether |
15 |
2 |
|
|
| linking O in esters |
42 |
115 |
|
|
| aromatic O |
4 |
139 |
|
|
| sulfoxide/sulfone O |
23 |
17 |
|
|
| nitro |
7 |
* |
|
|
* 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 |
48 |
995 |
|
|
| any C=S |
3 |
37 |
|
|
| aliphatic thioether |
13 |
338 |
|
|
| aromatic S |
|
355 |
|
|
* 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 |
34 |
1486 |
|
|
| any C-Cl |
37 |
1161 |
|
|
| any C-Br |
22 |
125 |
|
|
| any C-I |
14 |
27 |
|
|
| chloride ion |
68 |
107 |
|
|
| bromide ion |
6 |
6 |
|
|
| iodide ion |
2 |
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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
3 |
|
|
|
| sodium ion |
2 |
677 |
|
|
| potassium ion |
|
106 |
|
|
| 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 |
161 |
1362 |
|
|
| imidazole |
* |
148 |
|
|
| guanidinium |
* |
400 |
|
|
* This search has not been done.
|
|
