|
charged aliphatic-aliphatic amine
(PDB scatterplots include both charged and uncharged aliphatic-aliphatic amine groups, 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 |
9974 |
2328 |
|
|
| any polar X-H (X= N,O or S) |
2495 |
1258 |
|
|
* 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 |
3510 |
119 |
|
|
| methylene |
261 |
16 |
|
|
| methyl |
173 |
21 |
|
|
| any aromatic C-H |
954 |
141 |
|
|
| substituted aromatic carbon |
427 |
9 |
|
|
| phenyl |
81 |
24 |
|
|
* 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 |
466 |
173 |
|
|
| any uncharged NH |
74 |
* |
|
|
| any cationic NH |
367 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
20 |
11 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
20 |
* |
|
|
| cationic RNH3 |
34 |
62 |
|
|
| 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 |
2029 |
1078 |
|
|
| alcohol OH |
405 |
34 |
|
|
| phenol OH |
109 |
98 |
|
|
| water |
727 |
946 |
|
|
* 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 |
281 |
3 |
|
|
| cyano |
61 |
|
|
|
| pyramidal R3N |
1 |
* |
|
|
| uncharged planar R3N |
6 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
4992 |
882 |
|
|
| any C=O |
4199 |
882 |
|
|
| amide C=O |
31 |
314 |
|
|
| ester C=O |
45 |
|
|
|
| carboxylate |
1888 |
556 |
|
|
| aliphatic ether |
684 |
|
|
|
| linking O in esters |
23 |
|
|
|
| aromatic O |
20 |
|
|
|
| sulfoxide/sulfone O |
18 |
|
|
|
| nitro |
111 |
* |
|
|
* 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 |
1725 |
13 |
|
|
| any C=S |
86 |
|
|
|
| aliphatic thioether |
1 |
6 |
|
|
| aromatic S |
4 |
|
|
|
* 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 |
112 |
|
|
|
| any C-Cl |
66 |
|
|
|
| any C-Br |
19 |
|
|
|
| any C-I |
4 |
|
|
|
| chloride ion |
1575 |
|
|
|
| bromide ion |
334 |
|
|
|
| iodide ion |
75 |
|
|
|
* 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 |
39 |
|
|
|
| potassium ion |
19 |
|
|
|
| rubidium ion |
2 |
|
|
|
| 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 |
12 |
69 |
|
|
| imidazole |
* |
76 |
|
|
| guanidinium |
* |
3 |
|
|
* This search has not been done.
|
|
