|
pentafluorophenyl
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 |
9937 |
398 |
|
|
| any polar X-H (X= N,O or S) |
1467 |
76 |
|
|
* 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 |
4993 |
214 |
|
|
| methylene |
1997 |
16 |
|
|
| methyl |
1997 |
155 |
|
|
| any aromatic C-H |
4993 |
50 |
|
|
| substituted aromatic carbon |
2496 |
6 |
|
|
| phenyl |
1426 |
16 |
|
|
* 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 |
822 |
31 |
|
|
| any uncharged NH |
663 |
* |
|
|
| any cationic NH |
79 |
* |
|
|
| aromatic cationic N-H |
34 |
* |
|
|
| amide NH |
61 |
2 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
23 |
* |
|
|
| cationic RNH3 |
11 |
|
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
639 |
45 |
|
|
| alcohol OH |
119 |
31 |
|
|
| phenol OH |
31 |
6 |
|
|
| water |
* |
8 |
|
|
* 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 |
659 |
1 |
|
|
| cyano |
594 |
|
|
|
| pyramidal R3N |
36 |
* |
|
|
| uncharged planar R3N |
163 |
|
|
|
| cationic planar R3N |
19 |
|
|
|
|
| any terminal O |
1878 |
12 |
|
|
| any C=O |
1354 |
12 |
|
|
| amide C=O |
131 |
7 |
|
|
| ester C=O |
337 |
|
|
|
| carboxylate |
* |
1 |
|
|
| aliphatic ether |
94 |
|
|
|
| linking O in esters |
193 |
|
|
|
| aromatic O |
59 |
|
|
|
| sulfoxide/sulfone O |
35 |
|
|
|
| nitro |
59 |
* |
|
|
* 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 |
482 |
|
|
|
| any C=S |
15 |
|
|
|
| aliphatic thioether |
1 |
|
|
|
| aromatic S |
249 |
|
|
|
* 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 |
4993 |
|
|
|
| any C-Cl |
3028 |
|
|
|
| any C-Br |
417 |
|
|
|
| any C-I |
88 |
|
|
|
| chloride ion |
64 |
|
|
|
| bromide ion |
152 |
|
|
|
| iodide ion |
43 |
|
|
|
* 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 |
3 |
|
|
|
| potassium ion |
|
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
21 |
5 |
|
|
| imidazole |
* |
16 |
|
|
| guanidinium |
* |
4 |
|
|
* This search has not been done.
|
|
