|
uncharged 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 |
9908 |
7509 |
|
|
| any polar X-H (X= N,O or S) |
4994 |
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 |
4994 |
2757 |
|
|
| methylene |
1022 |
522 |
|
|
| methyl |
1970 |
1286 |
|
|
| any aromatic C-H |
4994 |
1120 |
|
|
| substituted aromatic carbon |
2005 |
193 |
|
|
| phenyl |
1413 |
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 |
3429 |
983 |
|
|
| any uncharged NH |
1011 |
* |
|
|
| any cationic NH |
58 |
* |
|
|
| aromatic cationic N-H |
32 |
* |
|
|
| amide NH |
193 |
627 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
196 |
* |
|
|
| cationic RNH3 |
4 |
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 |
1744 |
892 |
|
|
| alcohol OH |
188 |
67 |
|
|
| phenol OH |
199 |
56 |
|
|
| water |
331 |
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 |
3313 |
13 |
|
|
| cyano |
184 |
|
|
|
| pyramidal R3N |
16 |
* |
|
|
| uncharged planar R3N |
253 |
|
|
|
| cationic planar R3N |
5 |
|
|
|
|
| any terminal O |
1786 |
1337 |
|
|
| any C=O |
1186 |
1337 |
|
|
| amide C=O |
244 |
775 |
|
|
| ester C=O |
167 |
|
|
|
| carboxylate |
32 |
334 |
|
|
| aliphatic ether |
54 |
|
|
|
| linking O in esters |
65 |
|
|
|
| aromatic O |
25 |
|
|
|
| sulfoxide/sulfone O |
59 |
|
|
|
| nitro |
190 |
* |
|
|
* 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 |
962 |
134 |
|
|
| any C=S |
104 |
|
|
|
| aliphatic thioether |
9 |
105 |
|
|
| aromatic S |
118 |
|
|
|
* 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 |
518 |
|
|
|
| any C-Cl |
927 |
|
|
|
| any C-Br |
179 |
|
|
|
| any C-I |
88 |
|
|
|
| chloride ion |
31 |
|
|
|
| bromide ion |
9 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
9 |
|
|
|
| potassium ion |
1 |
|
|
|
| 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 |
41 |
136 |
|
|
| imidazole |
* |
63 |
|
|
| guanidinium |
* |
34 |
|
|
* This search has not been done.
|
|
