|
sulfato
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 |
6775 |
2388 |
|
|
any polar X-H (X= N,O or S) |
1110 |
1452 |
 |
|
* 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 |
2324 |
813 |
 |
|
methylene |
265 |
312 |
 |
|
methyl |
347 |
93 |
 |
|
any aromatic C-H |
569 |
222 |
 |
|
substituted aromatic carbon |
39 |
2 |
 |
|
phenyl |
55 |
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
N-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any NH |
760 |
636 |
 |
|
any uncharged NH |
46 |
* |
 |
|
any cationic NH |
345 |
* |
 |
|
aromatic cationic N-H |
43 |
* |
 |
|
amide NH |
4 |
253 |
 |
|
uncharged C(sp2)/C(ar)-NH2 |
2 |
* |
 |
|
cationic RNH3 |
45 |
109 |
 |
|
cationic R3NH |
6 |
* |
 |
|
* 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 |
350 |
813 |
 |
|
alcohol OH |
41 |
25 |
 |
|
phenol OH |
67 |
165 |
 |
|
water |
97 |
624 |
 |
|
* 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 |
22 |
16 |
 |
|
cyano |
9 |
|
 |
|
pyramidal R3N |
|
* |
|
|
uncharged planar R3N |
31 |
|
 |
|
cationic planar R3N |
30 |
|
 |
|
any terminal O |
284 |
218 |
 |
|
any C=O |
28 |
218 |
 |
|
amide C=O |
5 |
135 |
 |
|
ester C=O |
7 |
|
 |
|
carboxylate |
2 |
26 |
 |
|
aliphatic ether |
1 |
|
 |
|
linking O in esters |
2 |
|
 |
|
aromatic O |
|
|
|
|
sulfoxide/sulfone O |
|
|
|
|
nitro |
5 |
* |
 |
|
* 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 |
67 |
3 |
 |
|
any C=S |
1 |
|
 |
|
aliphatic thioether |
|
1 |
|
|
aromatic S |
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
Halo/Halide
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C-F |
7 |
|
 |
|
any C-Cl |
11 |
|
 |
|
any C-Br |
4 |
|
 |
|
any C-I |
|
|
|
|
chloride ion |
|
|
|
|
bromide ion |
|
|
|
|
iodide 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
Alkali Metal
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
lithium ion |
|
|
|
|
sodium ion |
45 |
|
 |
|
potassium ion |
24 |
|
 |
|
rubidium ion |
11 |
|
 |
|
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 |
|
85 |
|
|
imidazole |
* |
62 |
|
|
guanidinium |
* |
123 |
|
|
* This search has not been done.
|
|