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pyrrole

pyrrole



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 9873 581    
any polar X-H (X= N,O or S) 2767 142  
* 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 4988 246  
methylene 1678 70  
methyl 1963 128  
any aromatic C-H 4971 68  
substituted aromatic carbon 1666 4  
phenyl 1399 19  
* 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 2252 42  
any uncharged NH 2076 *  
any cationic NH 65 *  
aromatic cationic N-H 52 *  
amide NH 107 6
uncharged C(sp2)/C(ar)-NH2 28 *  
cationic RNH3   7  
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 512 98  
alcohol OH 145 7
phenol OH 54 9  
water 191 82
* 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 903 6  
cyano 189    
pyramidal R3N 25 *  
uncharged planar R3N 53    
cationic planar R3N 4    
any terminal O 2610 103  
any C=O 2403 103
amide C=O 390 51
ester C=O 735    
carboxylate 82 41
aliphatic ether 76    
linking O in esters 212    
aromatic O 29    
sulfoxide/sulfone O 49    
nitro 121 *  
* 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 398 3  
any C=S 85    
aliphatic thioether 4 1  
aromatic S 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

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 501    
any C-Cl 473    
any C-Br 158    
any C-I 25    
chloride ion 293    
bromide ion 68    
iodide ion 14    
* 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        
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 31 24  
imidazole * 19  
guanidinium * 7    
* This search has not been done.



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