|
uncharged piperidyl; pyramidal N
(PDB scatterplots for charged piperidyl and uncharged piperidyl with pyramidal N 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 |
9883 |
1303 |
|
|
| any polar X-H (X= N,O or S) |
944 |
606 |
|
|
* 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 |
4977 |
252 |
|
|
| methylene |
1957 |
59 |
|
|
| methyl |
1635 |
105 |
|
|
| any aromatic C-H |
4934 |
292 |
|
|
| substituted aromatic carbon |
1117 |
25 |
|
|
| phenyl |
1163 |
59 |
|
|
* 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 |
237 |
60 |
|
|
| any uncharged NH |
143 |
* |
|
|
| any cationic NH |
17 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
43 |
14 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
33 |
* |
|
|
| cationic RNH3 |
5 |
5 |
|
|
| cationic R3NH |
1 |
* |
|
|
* 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 |
701 |
539 |
|
|
| alcohol OH |
186 |
33 |
|
|
| phenol OH |
108 |
67 |
|
|
| water |
206 |
451 |
|
|
* 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 |
340 |
|
|
|
| cyano |
203 |
|
|
|
| pyramidal R3N |
220 |
* |
|
|
| uncharged planar R3N |
63 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
1009 |
317 |
|
|
| any C=O |
731 |
317 |
|
|
| amide C=O |
92 |
134 |
|
|
| ester C=O |
118 |
|
|
|
| carboxylate |
12 |
127 |
|
|
| aliphatic ether |
21 |
|
|
|
| linking O in esters |
62 |
|
|
|
| aromatic O |
23 |
|
|
|
| sulfoxide/sulfone O |
15 |
|
|
|
| nitro |
146 |
* |
|
|
* 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 |
193 |
30 |
|
|
| any C=S |
26 |
|
|
|
| aliphatic thioether |
8 |
24 |
|
|
| aromatic S |
71 |
|
|
|
* 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 |
349 |
|
|
|
| any C-Cl |
275 |
|
|
|
| any C-Br |
80 |
|
|
|
| any C-I |
29 |
|
|
|
| chloride ion |
4 |
|
|
|
| bromide ion |
7 |
|
|
|
| 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 |
2 |
|
|
|
| sodium ion |
1 |
|
|
|
| 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 |
20 |
25 |
|
|
| imidazole |
* |
10 |
|
|
| guanidinium |
* |
23 |
|
|
* This search has not been done.
|
|
