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aromatic O

aromatic O



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 9987 1356    
any polar X-H (X= N,O or S) 3541 427  
* 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 4983 564  
methylene 1986 148  
methyl 1991 198  
any aromatic C-H 4943 231  
substituted aromatic carbon 2474 19  
phenyl 1406 74  
* 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 2060 172  
any uncharged NH 562 *  
any cationic NH 435 *  
aromatic cationic N-H 34 *  
amide NH 152 60  
uncharged C(sp2)/C(ar)-NH2 134 *  
cationic RNH3 26 8  
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 1479 230  
alcohol OH 250 40  
phenol OH 95 9  
water 431 181  
* 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 2979 6  
cyano 215    
pyramidal R3N 8 *  
uncharged planar R3N 100 1  
cationic planar R3N 2    
any terminal O 3620 169  
any C=O 1794 169  
amide C=O 189 108  
ester C=O 505    
carboxylate 74 28  
aliphatic ether 30    
linking O in esters 295    
aromatic O 1436    
sulfoxide/sulfone O 110    
nitro 1354 *  
* 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 545 46  
any C=S 97    
aliphatic thioether 13 15  
aromatic S 114    
* 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 590    
any C-Cl 678    
any C-Br 253    
any C-I 99    
chloride ion 21    
bromide ion 10    
iodide ion 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion        
sodium ion 5    
potassium ion 80    
rubidium ion 11    
cesuim ion 11    
* 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 82 77  
imidazole * 32    
guanidinium * 23    
* This search has not been done.




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