|
gamma lactone
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 |
9895 |
632 |
|
|
| any polar X-H (X= N,O or S) |
4317 |
244 |
|
|
* 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 |
4957 |
219 |
|
|
| methylene |
1993 |
67 |
|
|
| methyl |
1991 |
83 |
|
|
| any aromatic C-H |
4996 |
153 |
|
|
| substituted aromatic carbon |
2478 |
1 |
|
|
| phenyl |
1394 |
36 |
|
|
* 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 |
615 |
121 |
|
|
| any uncharged NH |
428 |
* |
|
|
| any cationic NH |
93 |
* |
|
|
| aromatic cationic N-H |
9 |
* |
|
|
| amide NH |
98 |
28 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
53 |
* |
|
|
| cationic RNH3 |
33 |
7 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
3702 |
113 |
|
|
| alcohol OH |
2527 |
14 |
|
|
| phenol OH |
236 |
11 |
|
|
| water |
364 |
88 |
|
|
* 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 |
110 |
|
|
|
| cyano |
82 |
|
|
|
| pyramidal R3N |
6 |
* |
|
|
| uncharged planar R3N |
106 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
4581 |
55 |
|
|
| any C=O |
4996 |
55 |
|
|
| amide C=O |
60 |
24 |
|
|
| ester C=O |
1956 |
|
|
|
| carboxylate |
19 |
10 |
|
|
| aliphatic ether |
102 |
|
|
|
| linking O in esters |
1963 |
|
|
|
| aromatic O |
113 |
|
|
|
| sulfoxide/sulfone O |
43 |
|
|
|
| nitro |
133 |
* |
|
|
* 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 |
173 |
11 |
|
|
| any C=S |
19 |
|
|
|
| aliphatic thioether |
36 |
1 |
|
|
| aromatic S |
25 |
|
|
|
* 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 |
243 |
|
|
|
| any C-Cl |
494 |
|
|
|
| any C-Br |
419 |
|
|
|
| any C-I |
120 |
|
|
|
| chloride ion |
27 |
|
|
|
| bromide ion |
16 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
2 |
|
|
|
| sodium ion |
4 |
|
|
|
| potassium ion |
1 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
24 |
40 |
|
|
| imidazole |
* |
17 |
|
|
| guanidinium |
* |
27 |
|
|
* This search has not been done.
|
|
