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charged aromatic hydroxy uncharged aliphatic hydroxy uncharged aromatic hydroxy

uncharged aliphatic hydroxy



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 9996 9996    
any polar X-H (X= N,O or S) 4998 9996  
* 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 4996 9996  
methylene 1999 3332  
methyl 1999 2269  
any aromatic C-H 4998 3116  
substituted aromatic carbon 2488 249  
phenyl 1408 1172  
* 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 4998 9878  
any uncharged NH 4998 *  
any cationic NH 4998 *  
aromatic cationic N-H 578 *  
amide NH 1666 1999
uncharged C(sp2)/C(ar)-NH2 1450 *  
cationic RNH3 1877 2992
cationic R3NH 375 *  
* 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 4998 9996  
alcohol OH 3332 719
phenol OH 3332 1363
water 3332 9996
* 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 3332 391  
cyano 1291    
pyramidal R3N 1267 *  
uncharged planar R3N 1265 67  
cationic planar R3N 107    
any terminal O 4998 4998  
any C=O 4998 4998
amide C=O 1666 1999
ester C=O 1999    
carboxylate 2499 2494
aliphatic ether 2489    
linking O in esters 1999    
aromatic O 352    
sulfoxide/sulfone O 989    
nitro 1572 *  
* 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 6240 477  
any C=S 903    
aliphatic thioether 288 330
aromatic S 382    
* 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 2555    
any C-Cl 2296    
any C-Br 1099    
any C-I 277    
chloride ion 3316    
bromide ion 924    
iodide ion 366    
* 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 67    
sodium ion 502    
potassium ion 572    
rubidium ion 82    
cesuim ion 112    
* 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 1504 2499  
imidazole * 1666  
guanidinium * 1999    
* This search has not been done.



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