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thio



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 5367 2872    
any polar X-H (X= N,O or S) 521 1386  
* 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 1707 974  
methylene 231 175  
methyl 305 251  
any aromatic C-H 1039 372  
substituted aromatic carbon 104 20  
phenyl 131 146  
* 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

N-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any NH 101 460  
any uncharged NH 32 *  
any cationic NH 38 *  
aromatic cationic N-H 4 *  
amide NH 14 148  
uncharged C(sp2)/C(ar)-NH2 11 *  
cationic RNH3 16 22
cationic R3NH   *    
* 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 90 881  
alcohol OH 16 141
phenol OH 9 164  
water 10 576
* 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 53 37  
cyano 4    
pyramidal R3N 4 *  
uncharged planar R3N 11 7  
cationic planar R3N 1    
any terminal O 218 334  
any C=O 167 334
amide C=O 22 144  
ester C=O 15    
carboxylate 19 159
aliphatic ether 3    
linking O in esters 12    
aromatic O 2    
sulfoxide/sulfone O 6    
nitro 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

Sulfur
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any S 466 64  
any C=S 38    
aliphatic thioether 5 13  
aromatic S 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

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 35    
any C-Cl 21    
any C-Br 8    
any C-I        
chloride ion 23    
bromide ion 5    
iodide ion 4    
* 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   113    
imidazole * 217  
guanidinium * 94    
* This search has not been done.



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