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hydroxy (aliphatic) (S,T)

hydroxy (aliphatic) (S,T)



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 9977 9996    
any polar X-H (X= N,O or S) 4996 7728  
* 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 4320  
methylene 1998 909  
methyl 1998 712  
any aromatic C-H 4964 976  
substituted aromatic carbon 2498 317  
phenyl 1427 190  
* 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 4955 1131  
any uncharged NH 4957 *  
any cationic NH 4782 *  
aromatic cationic N-H 269 *  
amide NH 1481 209
uncharged C(sp2)/C(ar)-NH2 990 *  
cationic RNH3 1455 90
cationic R3NH 232 *  
* 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 4980 6395  
alcohol OH 3323 619
phenol OH 2689 132
water 3291 5644
* 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 3278 696  
cyano 695 70  
pyramidal R3N 782 *  
uncharged planar R3N 786 92  
cationic planar R3N 53 58  
any terminal O 4955 2118  
any C=O 4974 2118
amide C=O 1658 319
ester C=O 1971 153  
carboxylate 2478 1600
aliphatic ether 1724 1  
linking O in esters 1758 57  
aromatic O 185 49  
sulfoxide/sulfone O 617 21  
nitro 997 *  
* 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 3515 374  
any C=S 462 21  
aliphatic thioether 227 90
aromatic S   53    
* 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 1137 295  
any C-Cl 1258 149  
any C-Br 576 32  
any C-I 164 17  
chloride ion 1782 31  
bromide ion 464 1  
iodide ion 200 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 35    
sodium ion 366 57  
potassium ion 427 7  
rubidium ion 36    
cesuim ion 43    
* 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 1065 353  
imidazole * 54  
guanidinium * 97    
* This search has not been done.



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