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methyl (A,I,L,T,V)

methyl (A,I,L,T,V)



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   9898    
any polar X-H (X= N,O or S) 4972 9982  
* 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   9996    
methylene   3322    
methyl 1998 4141  
any aromatic C-H 4995 3325  
substituted aromatic carbon 2497 2499  
phenyl 1427 1424  
* 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 4995 2202  
any uncharged NH 4983 *  
any cationic NH 1782 *  
aromatic cationic N-H 270 *  
amide NH 1633 226  
uncharged C(sp2)/C(ar)-NH2 1052 *  
cationic RNH3 563 45  
cationic R3NH 17 *  
* 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 4945 9322  
alcohol OH 3318 2302  
phenol OH 3302 370  
water 3253 6650  
* 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 3306 3325  
cyano 3330 378  
pyramidal R3N 567 *  
uncharged planar R3N 1854 759  
cationic planar R3N 596 141  
any terminal O 4995 3977  
any C=O 4948 3977  
amide C=O 1665 1160  
ester C=O 1998 878  
carboxylate 2474 1648  
aliphatic ether 3272 2  
linking O in esters 1967 360  
aromatic O 1150 236  
sulfoxide/sulfone O 1776 31  
nitro 2493 *  
* 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 9991 861  
any C=S 4985 75  
aliphatic thioether 500 329  
aromatic S 3317 719  
* 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 4995 3082  
any C-Cl 4995 2447  
any C-Br 4949 370  
any C-I 1995 109  
chloride ion 5211 55  
bromide ion 2382 2  
iodide ion 1783 2  
* 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 62    
sodium ion 242 72  
potassium ion 923 34  
rubidium ion 30 1  
cesuim ion 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

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 1358 829  
imidazole * 370    
guanidinium * 224    
* This search has not been done.



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