|
uncharged carboxylic acid; trans
(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 |
9994 |
9937 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
9995 |
|
|
* 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 |
4997 |
9938 |
|
|
| methylene |
1998 |
2734 |
|
|
| methyl |
1998 |
1625 |
|
|
| any aromatic C-H |
4997 |
2781 |
|
|
| substituted aromatic carbon |
1447 |
102 |
|
|
| phenyl |
578 |
745 |
|
|
* 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 |
3317 |
8574 |
|
|
| any uncharged NH |
914 |
* |
|
|
| any cationic NH |
1323 |
* |
|
|
| aromatic cationic N-H |
357 |
* |
|
|
| amide NH |
202 |
1999 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
119 |
* |
|
|
| cationic RNH3 |
236 |
1527 |
|
|
| cationic R3NH |
48 |
* |
|
|
* 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 |
4997 |
9995 |
|
|
| alcohol OH |
224 |
1571 |
|
|
| phenol OH |
125 |
1526 |
|
|
| water |
1260 |
8162 |
|
|
* 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 |
454 |
472 |
|
|
| cyano |
22 |
|
|
|
| pyramidal R3N |
97 |
* |
|
|
| uncharged planar R3N |
216 |
32 |
|
|
| cationic planar R3N |
13 |
|
|
|
|
| any terminal O |
3623 |
2835 |
|
|
| any C=O |
3891 |
2835 |
|
|
| amide C=O |
167 |
1698 |
|
|
| ester C=O |
73 |
1 |
|
|
| carboxylate |
991 |
130 |
|
|
| aliphatic ether |
28 |
|
|
|
| linking O in esters |
53 |
1 |
|
|
| aromatic O |
25 |
|
|
|
| sulfoxide/sulfone O |
11 |
|
|
|
| nitro |
156 |
* |
|
|
* 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 |
222 |
240 |
|
|
| any C=S |
20 |
|
|
|
| aliphatic thioether |
14 |
203 |
|
|
| aromatic S |
57 |
|
|
|
* 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 |
265 |
|
|
|
| any C-Cl |
209 |
|
|
|
| any C-Br |
50 |
|
|
|
| any C-I |
23 |
|
|
|
| chloride ion |
41 |
|
|
|
| bromide ion |
10 |
|
|
|
| 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 |
5 |
|
|
|
| sodium ion |
24 |
|
|
|
| potassium ion |
33 |
|
|
|
| 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 |
62 |
1575 |
|
|
| imidazole |
* |
1665 |
|
|
| guanidinium |
* |
1999 |
|
|
* This search has not been done.
|
|
