CCDC

   IsoStar 2023.3

  Home Ligand Terminal Ligand Acyclic Links Ligand Ring Systems Ligand Solvates Protein Plots Custom Plots Help




acridine, charged acridine, uncharged

acridine, charged

(PDB scatterplots for charged and uncharged acridine 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 9233 124    
any polar X-H (X= N,O or S) 1043 65  
* 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 427 18  
methylene 38 4  
methyl 45 5  
any aromatic C-H 3108 44  
substituted aromatic carbon 772 10  
phenyl 48 7  
* 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 496 9  
any uncharged NH 181 *  
any cationic NH 288 *  
aromatic cationic N-H 286 *  
amide NH   3    
uncharged C(sp2)/C(ar)-NH2 130 *  
cationic RNH3        
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 547 56  
alcohol OH 22    
phenol OH 62 6  
water 286 50  
* 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 43    
cyano 1    
pyramidal R3N   *    
uncharged planar R3N 31    
cationic planar R3N 1    
any terminal O 790 15  
any C=O 475 15  
amide C=O 3 6  
ester C=O 2    
carboxylate 201 4  
aliphatic ether        
linking O in esters        
aromatic O        
sulfoxide/sulfone O 6    
nitro 45 *  
* 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 75 1  
any C=S 12    
aliphatic thioether        
aromatic S 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

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 115    
any C-Cl 46    
any C-Br        
any C-I        
chloride ion 66    
bromide ion 10    
iodide ion 16    
* 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        
potassium ion        
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 2 1  
imidazole * 3    
guanidinium * 1    
* This search has not been done.




Copyright © 2023 The Cambridge Crystallographic Data Centre
12 Union Road, Cambridge, CB2 1EZ, UK, +44 1223 336408
Registered in England No.2155347 Registered Charity No.800579