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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 9839      
any polar X-H (X= N,O or S) 2965    
* 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 4996    
methylene 1982    
methyl 1998    
any aromatic C-H 4961    
substituted aromatic carbon 2496    
phenyl 1404    
* 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 882    
any uncharged NH 514 *  
any cationic NH 57 *  
aromatic cationic N-H 13 *  
amide NH 124    
uncharged C(sp2)/C(ar)-NH2 76 *  
cationic RNH3 11    
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 2082    
alcohol OH 970    
phenol OH 171    
water 339    
* 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 946    
cyano 496    
pyramidal R3N 44 *  
uncharged planar R3N 446    
cationic planar R3N 14    
any terminal O 4985    
any C=O 4175    
amide C=O 303    
ester C=O 1286    
carboxylate 122    
aliphatic ether 284    
linking O in esters 586    
aromatic O 33    
sulfoxide/sulfone O 159    
nitro 713 *  
* 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 1309    
any C=S 355    
aliphatic thioether 41    
aromatic S 101    
* 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 1091    
any C-Cl 1046    
any C-Br 679    
any C-I 52    
chloride ion 227    
bromide ion 219    
iodide ion 84    
* 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 12    
sodium ion 13    
potassium ion 6    
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 90    
imidazole *      
guanidinium *      
* This search has not been done.



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