|
charged pyridine
(PDB scatterplots for charged and uncharged pyridine 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 |
9945 |
9993 |
|
|
| any polar X-H (X= N,O or S) |
4977 |
4813 |
|
|
* 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 |
4971 |
6073 |
|
|
| methylene |
1592 |
1537 |
|
|
| methyl |
1945 |
2525 |
|
|
| any aromatic C-H |
4963 |
3031 |
|
|
| substituted aromatic carbon |
2473 |
500 |
|
|
| phenyl |
966 |
581 |
|
|
* 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 |
4955 |
1733 |
|
|
| any uncharged NH |
1717 |
* |
|
|
| any cationic NH |
4991 |
* |
|
|
| aromatic cationic N-H |
2496 |
* |
|
|
| amide NH |
337 |
516 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
882 |
* |
|
|
| cationic RNH3 |
60 |
238 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
4980 |
2963 |
|
|
| alcohol OH |
593 |
409 |
|
|
| phenol OH |
1426 |
342 |
|
|
| water |
3318 |
2212 |
|
|
* 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 |
2479 |
99 |
|
|
| cyano |
620 |
|
|
|
| pyramidal R3N |
5 |
* |
|
|
| uncharged planar R3N |
379 |
6 |
|
|
| cationic planar R3N |
5 |
|
|
|
|
| any terminal O |
4989 |
3243 |
|
|
| any C=O |
4993 |
3243 |
|
|
| amide C=O |
669 |
1428 |
|
|
| ester C=O |
144 |
|
|
|
| carboxylate |
2460 |
1208 |
|
|
| aliphatic ether |
166 |
|
|
|
| linking O in esters |
54 |
|
|
|
| aromatic O |
51 |
|
|
|
| sulfoxide/sulfone O |
84 |
|
|
|
| nitro |
1769 |
* |
|
|
* 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 |
5000 |
268 |
|
|
| any C=S |
1298 |
|
|
|
| aliphatic thioether |
8 |
131 |
|
|
| aromatic S |
127 |
|
|
|
* 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 |
1901 |
|
|
|
| any C-Cl |
1597 |
|
|
|
| any C-Br |
817 |
|
|
|
| any C-I |
383 |
|
|
|
| chloride ion |
3190 |
|
|
|
| bromide ion |
779 |
|
|
|
| iodide ion |
363 |
|
|
|
* 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 |
24 |
|
|
|
| potassium ion |
16 |
|
|
|
| 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 |
280 |
346 |
|
|
| imidazole |
* |
344 |
|
|
| guanidinium |
* |
231 |
|
|
* This search has not been done.
|
|
