|
uncharged piperidyl; planar N
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 |
9800 |
1722 |
|
|
| any polar X-H (X= N,O or S) |
1089 |
552 |
|
|
* 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 |
4808 |
425 |
|
|
| methylene |
1949 |
103 |
|
|
| methyl |
1899 |
198 |
|
|
| any aromatic C-H |
4839 |
461 |
|
|
| substituted aromatic carbon |
911 |
67 |
|
|
| phenyl |
1273 |
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 |
542 |
99 |
|
|
| any uncharged NH |
136 |
* |
|
|
| any cationic NH |
22 |
* |
|
|
| aromatic cationic N-H |
10 |
* |
|
|
| amide NH |
42 |
22 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
27 |
* |
|
|
| cationic RNH3 |
|
7 |
|
|
| 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 |
547 |
448 |
|
|
| alcohol OH |
169 |
43 |
|
|
| phenol OH |
78 |
52 |
|
|
| water |
145 |
353 |
|
|
* 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 |
715 |
7 |
|
|
| cyano |
313 |
|
|
|
| pyramidal R3N |
19 |
* |
|
|
| uncharged planar R3N |
553 |
|
|
|
| cationic planar R3N |
5 |
|
|
|
|
| any terminal O |
1909 |
307 |
|
|
| any C=O |
1415 |
307 |
|
|
| amide C=O |
95 |
129 |
|
|
| ester C=O |
192 |
|
|
|
| carboxylate |
29 |
75 |
|
|
| aliphatic ether |
20 |
|
|
|
| linking O in esters |
97 |
|
|
|
| aromatic O |
25 |
|
|
|
| sulfoxide/sulfone O |
31 |
|
|
|
| nitro |
165 |
* |
|
|
* 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 |
1585 |
34 |
|
|
| any C=S |
290 |
|
|
|
| aliphatic thioether |
|
29 |
|
|
| aromatic S |
82 |
|
|
|
* 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 |
375 |
|
|
|
| any C-Cl |
649 |
|
|
|
| any C-Br |
107 |
|
|
|
| any C-I |
28 |
|
|
|
| chloride ion |
65 |
|
|
|
| bromide ion |
16 |
|
|
|
| iodide ion |
12 |
|
|
|
* 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 |
|
|
|
|
| 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 |
36 |
50 |
|
|
| imidazole |
* |
36 |
|
|
| guanidinium |
* |
16 |
|
|
* This search has not been done.
|
|
