|
cyclopropyl
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 |
1799 |
|
|
| any polar X-H (X= N,O or S) |
1219 |
512 |
|
|
* 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 |
4995 |
594 |
|
|
| methylene |
1998 |
123 |
|
|
| methyl |
1998 |
273 |
|
|
| any aromatic C-H |
4981 |
357 |
|
|
| substituted aromatic carbon |
945 |
32 |
|
|
| phenyl |
1405 |
92 |
|
|
* 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 |
456 |
144 |
|
|
| any uncharged NH |
294 |
* |
|
|
| any cationic NH |
65 |
* |
|
|
| aromatic cationic N-H |
16 |
* |
|
|
| amide NH |
176 |
40 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
45 |
* |
|
|
| cationic RNH3 |
15 |
7 |
|
|
| cationic R3NH |
3 |
* |
|
|
* 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 |
762 |
358 |
|
|
| alcohol OH |
283 |
30 |
|
|
| phenol OH |
66 |
60 |
|
|
| water |
83 |
268 |
|
|
* 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 |
380 |
4 |
|
|
| cyano |
308 |
|
|
|
| pyramidal R3N |
12 |
* |
|
|
| uncharged planar R3N |
60 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
2677 |
307 |
|
|
| any C=O |
1996 |
307 |
|
|
| amide C=O |
348 |
166 |
|
|
| ester C=O |
518 |
|
|
|
| carboxylate |
49 |
65 |
|
|
| aliphatic ether |
50 |
|
|
|
| linking O in esters |
252 |
|
|
|
| aromatic O |
42 |
|
|
|
| sulfoxide/sulfone O |
102 |
|
|
|
| nitro |
330 |
* |
|
|
* 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 |
244 |
48 |
|
|
| any C=S |
16 |
|
|
|
| aliphatic thioether |
12 |
36 |
|
|
| aromatic S |
24 |
|
|
|
* 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 |
733 |
|
|
|
| any C-Cl |
457 |
|
|
|
| any C-Br |
280 |
|
|
|
| any C-I |
30 |
|
|
|
| chloride ion |
96 |
|
|
|
| bromide ion |
16 |
|
|
|
| iodide ion |
9 |
|
|
|
* 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 |
20 |
|
|
|
| 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 |
70 |
46 |
|
|
| imidazole |
* |
32 |
|
|
| guanidinium |
* |
34 |
|
|
* This search has not been done.
|
|
