|
amidinio
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 |
5879 |
3471 |
|
|
any polar X-H (X= N,O or S) |
905 |
927 |
|
|
* 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 |
629 |
761 |
|
|
methylene |
72 |
57 |
|
|
methyl |
196 |
57 |
|
|
any aromatic C-H |
806 |
111 |
|
|
substituted aromatic carbon |
143 |
22 |
|
|
phenyl |
105 |
32 |
|
|
* 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 |
76 |
|
|
any uncharged NH |
36 |
* |
|
|
any cationic NH |
294 |
* |
|
|
aromatic cationic N-H |
|
* |
|
|
amide NH |
2 |
19 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
18 |
* |
|
|
cationic RNH3 |
|
4 |
|
|
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 |
363 |
844 |
|
|
alcohol OH |
54 |
208 |
|
|
phenol OH |
17 |
11 |
|
|
water |
228 |
625 |
|
|
* 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 |
78 |
4 |
|
|
cyano |
4 |
|
|
|
pyramidal R3N |
|
* |
|
|
uncharged planar R3N |
2 |
7 |
|
|
cationic planar R3N |
|
|
|
|
any terminal O |
1173 |
1181 |
|
|
any C=O |
538 |
1181 |
|
|
amide C=O |
12 |
410 |
|
|
ester C=O |
7 |
|
|
|
carboxylate |
371 |
381 |
|
|
aliphatic ether |
2 |
|
|
|
linking O in esters |
2 |
|
|
|
aromatic O |
1 |
|
|
|
sulfoxide/sulfone O |
6 |
|
|
|
nitro |
73 |
* |
|
|
* 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 |
141 |
33 |
|
|
any C=S |
3 |
|
|
|
aliphatic thioether |
|
8 |
|
|
aromatic S |
4 |
|
|
|
* 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 |
15 |
|
|
|
any C-Cl |
1 |
|
|
|
any C-Br |
3 |
|
|
|
any C-I |
|
|
|
|
chloride ion |
149 |
|
|
|
bromide ion |
20 |
|
|
|
iodide ion |
7 |
|
|
|
* 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 |
|
25 |
|
|
imidazole |
* |
8 |
|
|
guanidinium |
* |
10 |
|
|
* This search has not been done.
|
|