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aromatic S

aromatic S



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   5142    
any polar X-H (X= N,O or S) 4981 1268  
* 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   1973    
methylene 1968 408  
methyl   922    
any aromatic C-H 4981 906  
substituted aromatic carbon 2478 102  
phenyl 1413 292  
* 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 3013 544  
any uncharged NH 1243 *  
any cationic NH 235 *  
aromatic cationic N-H 148 *  
amide NH 357 204  
uncharged C(sp2)/C(ar)-NH2 210 *  
cationic RNH3 15 12  
cationic R3NH 2 *  
* 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 2953 701  
alcohol OH 406 88  
phenol OH 299 92  
water 1041 521  
* 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 3320 38  
cyano 1852    
pyramidal R3N 34 *  
uncharged planar R3N 623 3  
cationic planar R3N 86    
any terminal O 4971 591  
any C=O 4997 591  
amide C=O 557 319  
ester C=O 797    
carboxylate 233 68  
aliphatic ether 124    
linking O in esters 370    
aromatic O 165    
sulfoxide/sulfone O 224    
nitro 786 *  
* 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 7789 97  
any C=S 353    
aliphatic thioether 58 69  
aromatic S 3312    
* 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 3762    
any C-Cl 2697    
any C-Br 1216    
any C-I 265    
chloride ion 403    
bromide ion 120    
iodide ion 100    
* 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 9    
potassium ion 22    
rubidium ion 1    
cesuim 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

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 75 87  
imidazole * 229    
guanidinium * 40    
* This search has not been done.



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