|
methylthio
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 |
9912 |
1721 |
|
|
| any polar X-H (X= N,O or S) |
2177 |
527 |
|
|
* 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 |
4963 |
616 |
|
|
| methylene |
1991 |
184 |
|
|
| methyl |
1998 |
235 |
|
|
| any aromatic C-H |
4996 |
316 |
|
|
| substituted aromatic carbon |
2485 |
46 |
|
|
| phenyl |
1425 |
139 |
|
|
* 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 |
1178 |
183 |
|
|
| any uncharged NH |
448 |
* |
|
|
| any cationic NH |
119 |
* |
|
|
| aromatic cationic N-H |
32 |
* |
|
|
| amide NH |
104 |
68 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
61 |
* |
|
|
| cationic RNH3 |
10 |
29 |
|
|
| 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 |
998 |
328 |
|
|
| alcohol OH |
261 |
44 |
|
|
| phenol OH |
95 |
54 |
|
|
| water |
256 |
230 |
|
|
* 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 |
1565 |
13 |
|
|
| cyano |
848 |
|
|
|
| pyramidal R3N |
9 |
* |
|
|
| uncharged planar R3N |
195 |
6 |
|
|
| cationic planar R3N |
18 |
|
|
|
|
| any terminal O |
3742 |
289 |
|
|
| any C=O |
2605 |
289 |
|
|
| amide C=O |
240 |
160 |
|
|
| ester C=O |
457 |
|
|
|
| carboxylate |
114 |
66 |
|
|
| aliphatic ether |
103 |
|
|
|
| linking O in esters |
213 |
|
|
|
| aromatic O |
105 |
|
|
|
| sulfoxide/sulfone O |
79 |
|
|
|
| nitro |
282 |
* |
|
|
* 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 |
9948 |
23 |
|
|
| any C=S |
558 |
|
|
|
| aliphatic thioether |
1076 |
12 |
|
|
| aromatic S |
294 |
|
|
|
* 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 |
713 |
|
|
|
| any C-Cl |
933 |
|
|
|
| any C-Br |
235 |
|
|
|
| any C-I |
50 |
|
|
|
| chloride ion |
93 |
|
|
|
| bromide ion |
23 |
|
|
|
| iodide ion |
177 |
|
|
|
* 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 |
1 |
|
|
|
| potassium ion |
9 |
|
|
|
| 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 |
60 |
68 |
|
|
| imidazole |
* |
76 |
|
|
| guanidinium |
* |
52 |
|
|
* This search has not been done.
|
|
