|
charged pyrimidine
(PDB scatterplots for charged and uncharged pyrimidine 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 |
9983 |
7509 |
|
|
| any polar X-H (X= N,O or S) |
1991 |
1890 |
|
|
* 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 |
1278 |
2757 |
|
|
| methylene |
133 |
522 |
|
|
| methyl |
274 |
1286 |
|
|
| any aromatic C-H |
1182 |
1120 |
|
|
| substituted aromatic carbon |
227 |
193 |
|
|
| phenyl |
40 |
342 |
|
|
* 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 |
1440 |
983 |
|
|
| any uncharged NH |
98 |
* |
|
|
| any cationic NH |
295 |
* |
|
|
| aromatic cationic N-H |
291 |
* |
|
|
| amide NH |
1 |
627 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
16 |
* |
|
|
| cationic RNH3 |
1 |
28 |
|
|
| 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 |
551 |
892 |
|
|
| alcohol OH |
35 |
67 |
|
|
| phenol OH |
73 |
56 |
|
|
| water |
241 |
769 |
|
|
* 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 |
452 |
13 |
|
|
| cyano |
19 |
|
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
7 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
1356 |
1337 |
|
|
| any C=O |
690 |
1337 |
|
|
| amide C=O |
2 |
775 |
|
|
| ester C=O |
|
|
|
|
| carboxylate |
406 |
334 |
|
|
| aliphatic ether |
64 |
|
|
|
| linking O in esters |
|
|
|
|
| aromatic O |
1 |
|
|
|
| sulfoxide/sulfone O |
1 |
|
|
|
| nitro |
97 |
* |
|
|
* 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 |
216 |
134 |
|
|
| any C=S |
40 |
|
|
|
| aliphatic thioether |
|
105 |
|
|
| aromatic S |
15 |
|
|
|
* 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 |
41 |
|
|
|
| any C-Cl |
113 |
|
|
|
| any C-Br |
20 |
|
|
|
| any C-I |
4 |
|
|
|
| chloride ion |
106 |
|
|
|
| bromide ion |
15 |
|
|
|
| iodide ion |
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
|
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 |
8 |
136 |
|
|
| imidazole |
* |
63 |
|
|
| guanidinium |
* |
34 |
|
|
* This search has not been done.
|
|
