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charged piperidyl uncharged piperidyl; planar N uncharged piperidyl; pyramidal N

charged piperidyl

(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 9981 1303    
any polar X-H (X= N,O or S) 851 606  
* 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 4302 252  
methylene 1109 59  
methyl 518 105  
any aromatic C-H 2210 292  
substituted aromatic carbon 378 25  
phenyl 405 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 50 60  
any uncharged NH 24 *  
any cationic NH 10 *  
aromatic cationic N-H   *    
amide NH 8 14  
uncharged C(sp2)/C(ar)-NH2 4 *  
cationic RNH3 1 5  
cationic R3NH 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

O-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any OH 802 539  
alcohol OH 111 33  
phenol OH 60 67  
water 312 451  
* 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 37    
cyano 76    
pyramidal R3N 3 *  
uncharged planar R3N 8    
cationic planar R3N        
any terminal O 1133 317  
any C=O 607 317  
amide C=O 36 134  
ester C=O 43    
carboxylate 219 127  
aliphatic ether 12    
linking O in esters 11    
aromatic O 15    
sulfoxide/sulfone O 7    
nitro 136 *  
* 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 141 30  
any C=S 7    
aliphatic thioether   24    
aromatic S 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

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 387    
any C-Cl 134    
any C-Br 12    
any C-I        
chloride ion 515    
bromide ion 102    
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        
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 2 25  
imidazole * 10    
guanidinium * 23    
* This search has not been done.




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