|
sulfonamide (monosubstituted), uncharged; pyramidal N
(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 |
9887 |
2604 |
|
|
| any polar X-H (X= N,O or S) |
1925 |
1223 |
|
|
* 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 |
4911 |
1074 |
|
|
| methylene |
816 |
362 |
|
|
| methyl |
1970 |
156 |
|
|
| any aromatic C-H |
4925 |
190 |
|
|
| substituted aromatic carbon |
300 |
6 |
|
|
| phenyl |
1055 |
61 |
|
|
* 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 |
1542 |
564 |
|
|
| any uncharged NH |
364 |
* |
|
|
| any cationic NH |
20 |
* |
|
|
| aromatic cationic N-H |
1 |
* |
|
|
| amide NH |
72 |
271 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
87 |
* |
|
|
| cationic RNH3 |
3 |
52 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
383 |
646 |
|
|
| alcohol OH |
134 |
54 |
|
|
| phenol OH |
41 |
29 |
|
|
| water |
76 |
563 |
|
|
* 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 |
148 |
15 |
|
|
| cyano |
15 |
|
|
|
| pyramidal R3N |
8 |
* |
|
|
| uncharged planar R3N |
19 |
4 |
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
1926 |
407 |
|
|
| any C=O |
460 |
407 |
|
|
| amide C=O |
90 |
203 |
|
|
| ester C=O |
94 |
|
|
|
| carboxylate |
8 |
65 |
|
|
| aliphatic ether |
18 |
|
|
|
| linking O in esters |
46 |
|
|
|
| aromatic O |
23 |
|
|
|
| sulfoxide/sulfone O |
14 |
|
|
|
| nitro |
83 |
* |
|
|
* 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 |
1221 |
32 |
|
|
| any C=S |
3 |
|
|
|
| aliphatic thioether |
4 |
6 |
|
|
| aromatic S |
9 |
|
|
|
* 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 |
117 |
|
|
|
| any C-Cl |
226 |
|
|
|
| any C-Br |
81 |
|
|
|
| any C-I |
33 |
|
|
|
| chloride ion |
12 |
|
|
|
| bromide ion |
3 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
5 |
|
|
|
| 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 |
6 |
101 |
|
|
| imidazole |
* |
53 |
|
|
| guanidinium |
* |
64 |
|
|
* This search has not been done.
|
|
