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isoxazole

isoxazole



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 9991 1040    
any polar X-H (X= N,O or S) 665 390  
* 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 4371 443  
methylene 418 139  
methyl 1178 152  
any aromatic C-H 3022 96  
substituted aromatic carbon 591 12  
phenyl 589 36  
* 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 391 147  
any uncharged NH 221 *  
any cationic NH 53 *  
aromatic cationic N-H 4 *  
amide NH 37 68
uncharged C(sp2)/C(ar)-NH2 63 *  
cationic RNH3 23 5
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 274 232  
alcohol OH 64 38
phenol OH 42 3  
water 54 191
* 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 631 11  
cyano 34    
pyramidal R3N 1 *  
uncharged planar R3N 21    
cationic planar R3N        
any terminal O 586 148  
any C=O 390 148
amide C=O 41 82
ester C=O 111    
carboxylate 24 31
aliphatic ether 12    
linking O in esters 71    
aromatic O 543    
sulfoxide/sulfone O 10    
nitro 149 *  
* 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 72 29  
any C=S 5    
aliphatic thioether 1 14  
aromatic S 28    
* 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 144    
any C-Cl 139    
any C-Br 50    
any C-I 12    
chloride ion 7    
bromide ion        
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 1    
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 17 60  
imidazole * 19  
guanidinium * 9    
* This search has not been done.



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