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charged imidazole (H) uncharged imidazole (H), 4-yl uncharged imidazole (H), 5-yl

charged imidazole (H)

(PDB scatterplots for all the above groups are identical, because the groups are indistinguishable in protein crystal structures; More Information)


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 5554 9939    
any polar X-H (X= N,O or S) 840 9993  
* 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 725 6215  
methylene 217 1575  
methyl 92 1047  
any aromatic C-H 207 1905  
substituted aromatic carbon 36 1051  
phenyl 7 351  
* 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 403 1088  
any uncharged NH 168 *  
any cationic NH 226 *  
aromatic cationic N-H 134 *  
amide NH 16 291  
uncharged C(sp2)/C(ar)-NH2 1 *  
cationic RNH3 73 64  
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 437 9980  
alcohol OH 38 3413  
phenol OH 30 457  
water 174 6745  
* 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 15 810  
cyano   45    
pyramidal R3N   *    
uncharged planar R3N 3 370  
cationic planar R3N   15    
any terminal O 1154 4498  
any C=O 649 4498  
amide C=O 41 884  
ester C=O 9 124  
carboxylate 371 2498  
aliphatic ether   1    
linking O in esters 3 70  
aromatic O   34    
sulfoxide/sulfone O 1 14  
nitro 44 *  
* 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 81 1060  
any C=S 8 40  
aliphatic thioether   122    
aromatic S   105    
* 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 13 387  
any C-Cl 22 252  
any C-Br 1 38  
any C-I   6    
chloride ion 103 61  
bromide ion 22 3  
iodide ion 37 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion   7    
sodium ion   25    
potassium ion   10    
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 1 576  
imidazole * 12    
guanidinium * 108    
* This search has not been done.




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