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dianionic phosphato monoanionic phosphato; major conformer monoanionic phosphato; minor conformer

dianionic phosphato

(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 2472 9319    
any polar X-H (X= N,O or S) 1117 9409  
* 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 325 9419  
methylene 56 3195  
methyl 2 1710  
any aromatic C-H 25 1683  
substituted aromatic carbon 1 17  
phenyl 2 164  
* 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 271 9442  
any uncharged NH 44 *  
any cationic NH 170 *  
aromatic cationic N-H 10 *  
amide NH 22 1943  
uncharged C(sp2)/C(ar)-NH2   *    
cationic RNH3 61 3061  
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 846 9454  
alcohol OH 108 4767  
phenol OH   1355    
water 326 9498  
* 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 9 357  
cyano        
pyramidal R3N   *    
uncharged planar R3N   12    
cationic planar R3N 1    
any terminal O 38 4758  
any C=O 43 4758  
amide C=O 11 1904  
ester C=O 2    
carboxylate 9 840  
aliphatic ether        
linking O in esters 1    
aromatic O        
sulfoxide/sulfone O        
nitro   *    
* 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   93    
any C=S        
aliphatic thioether   4    
aromatic S        
* 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        
any C-Cl        
any C-Br        
any C-I        
chloride ion        
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 140    
potassium ion 13    
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   1163    
imidazole * 1219    
guanidinium * 1865    
* This search has not been done.




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