|
charged aromatic hydroxy
(PDB scatterplots for charged and uncharged aromatic hydroxy 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 |
9918 |
4328 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
1978 |
|
|
* 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 |
1394 |
|
|
| methylene |
785 |
414 |
|
|
| methyl |
1030 |
371 |
|
|
| any aromatic C-H |
3217 |
319 |
|
|
| substituted aromatic carbon |
387 |
11 |
|
|
| phenyl |
324 |
141 |
|
|
* 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 |
3510 |
810 |
|
|
| any uncharged NH |
309 |
* |
|
|
| any cationic NH |
2332 |
* |
|
|
| aromatic cationic N-H |
444 |
* |
|
|
| amide NH |
38 |
167 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
41 |
* |
|
|
| cationic RNH3 |
411 |
208 |
|
|
| cationic R3NH |
184 |
* |
|
|
* 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 |
3061 |
1144 |
|
|
| alcohol OH |
274 |
149 |
|
|
| phenol OH |
559 |
59 |
|
|
| water |
581 |
936 |
|
|
* 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 |
152 |
49 |
|
|
| cyano |
26 |
|
|
|
| pyramidal R3N |
4 |
* |
|
|
| uncharged planar R3N |
57 |
12 |
|
|
| cationic planar R3N |
32 |
|
|
|
|
| any terminal O |
1575 |
657 |
|
|
| any C=O |
300 |
657 |
|
|
| amide C=O |
33 |
177 |
|
|
| ester C=O |
14 |
|
|
|
| carboxylate |
43 |
369 |
|
|
| aliphatic ether |
33 |
|
|
|
| linking O in esters |
5 |
|
|
|
| aromatic O |
5 |
|
|
|
| sulfoxide/sulfone O |
4 |
|
|
|
| nitro |
1040 |
* |
|
|
* 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 |
59 |
29 |
|
|
| any C=S |
2 |
|
|
|
| aliphatic thioether |
1 |
35 |
|
|
| aromatic S |
11 |
|
|
|
* 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 |
38 |
|
|
|
| any C-Cl |
76 |
1 |
|
|
| any C-Br |
28 |
|
|
|
| any C-I |
18 |
|
|
|
| chloride ion |
7 |
|
|
|
| bromide ion |
|
|
|
|
| iodide ion |
6 |
|
|
|
* 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 |
4 |
|
|
|
| sodium ion |
55 |
|
|
|
| potassium ion |
34 |
|
|
|
| rubidium ion |
74 |
|
|
|
| cesuim ion |
21 |
|
|
|
* 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 |
29 |
295 |
|
|
| imidazole |
* |
500 |
|
|
| guanidinium |
* |
268 |
|
|
* This search has not been done.
|
|
