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pyrazole

pyrazole



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 9990 1589    
any polar X-H (X= N,O or S) 3638 446  
* 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 4802 727  
methylene 374 118  
methyl 1748 347  
any aromatic C-H 3160 140  
substituted aromatic carbon 732 12  
phenyl 567 45  
* 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 2543 179  
any uncharged NH 216 *  
any cationic NH 161 *  
aromatic cationic N-H 35 *  
amide NH 108 124
uncharged C(sp2)/C(ar)-NH2 52 *  
cationic RNH3 28 16
cationic R3NH 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

O-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any OH 1099 260  
alcohol OH 154 45
phenol OH 130 19  
water 306 196
* 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 1814 2  
cyano 86    
pyramidal R3N 2 *  
uncharged planar R3N 39    
cationic planar R3N        
any terminal O 1567 282  
any C=O 844 282
amide C=O 153 192
ester C=O 190    
carboxylate 66 54
aliphatic ether 15    
linking O in esters 88    
aromatic O 18    
sulfoxide/sulfone O 14    
nitro 536 *  
* 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 115 16  
any C=S 22    
aliphatic thioether   8    
aromatic S 15    
* 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 428    
any C-Cl 100    
any C-Br 36    
any C-I 8    
chloride ion 33    
bromide ion 9    
iodide ion 16    
* 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 2    
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 29 19  
imidazole * 12  
guanidinium * 3    
* This search has not been done.



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