|
dianionic phosphato
(PDB scatterplots for all the above groups are identical, because the groups are indistinguishable in protein crystal structures; More Information)
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 |
2472 |
9319 |
|
|
| any polar X-H (X= N,O or S) |
1117 |
9409 |
|
|
* 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 |
325 |
9419 |
|
|
| methylene |
56 |
3195 |
|
|
| methyl |
2 |
1710 |
|
|
| any aromatic C-H |
25 |
1683 |
|
|
| substituted aromatic carbon |
1 |
17 |
|
|
| phenyl |
2 |
164 |
|
|
* 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 |
271 |
9442 |
|
|
| any uncharged NH |
44 |
* |
|
|
| any cationic NH |
170 |
* |
|
|
| aromatic cationic N-H |
10 |
* |
|
|
| amide NH |
22 |
1943 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
|
* |
|
|
| cationic RNH3 |
61 |
3061 |
|
|
| 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 |
846 |
9454 |
|
|
| alcohol OH |
108 |
4767 |
|
|
| phenol OH |
|
1355 |
|
|
| water |
326 |
9498 |
|
|
* 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 |
9 |
357 |
|
|
| cyano |
|
|
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
|
12 |
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
38 |
4758 |
|
|
| any C=O |
43 |
4758 |
|
|
| amide C=O |
11 |
1904 |
|
|
| ester C=O |
2 |
|
|
|
| carboxylate |
9 |
840 |
|
|
| aliphatic ether |
|
|
|
|
| linking O in esters |
1 |
|
|
|
| aromatic O |
|
|
|
|
| sulfoxide/sulfone O |
|
|
|
|
| nitro |
|
* |
|
|
* 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 |
|
93 |
|
|
| any C=S |
|
|
|
|
| aliphatic thioether |
|
4 |
|
|
| aromatic S |
|
|
|
|
* 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 |
|
|
|
|
| any C-Cl |
|
|
|
|
| any C-Br |
|
|
|
|
| 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 |
140 |
|
|
|
| potassium ion |
13 |
|
|
|
| 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 |
|
1163 |
|
|
| imidazole |
* |
1219 |
|
|
| guanidinium |
* |
1865 |
|
|
* This search has not been done.
|
|
