|
aliphatic-aliphatic amine, pyramidal
(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 |
6192 |
2328 |
|
|
| any polar X-H (X= N,O or S) |
905 |
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 |
1490 |
119 |
|
|
| methylene |
173 |
16 |
|
|
| methyl |
253 |
21 |
|
|
| any aromatic C-H |
860 |
141 |
|
|
| substituted aromatic carbon |
135 |
9 |
|
|
| phenyl |
234 |
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 |
257 |
173 |
|
|
| any uncharged NH |
155 |
* |
|
|
| any cationic NH |
57 |
* |
|
|
| aromatic cationic N-H |
1 |
* |
|
|
| amide NH |
14 |
11 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
12 |
* |
|
|
| cationic RNH3 |
24 |
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 |
647 |
1078 |
|
|
| alcohol OH |
314 |
34 |
|
|
| phenol OH |
66 |
98 |
|
|
| water |
130 |
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 |
88 |
3 |
|
|
| cyano |
39 |
|
|
|
| pyramidal R3N |
3 |
* |
|
|
| uncharged planar R3N |
3 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
414 |
882 |
|
|
| any C=O |
256 |
882 |
|
|
| amide C=O |
53 |
314 |
|
|
| ester C=O |
52 |
|
|
|
| carboxylate |
25 |
556 |
|
|
| aliphatic ether |
14 |
|
|
|
| linking O in esters |
8 |
|
|
|
| aromatic O |
|
|
|
|
| sulfoxide/sulfone O |
6 |
|
|
|
| nitro |
25 |
* |
|
|
* 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 |
59 |
13 |
|
|
| any C=S |
1 |
|
|
|
| aliphatic thioether |
|
6 |
|
|
| aromatic S |
3 |
|
|
|
* 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 |
15 |
|
|
|
| any C-Cl |
31 |
|
|
|
| any C-Br |
9 |
|
|
|
| any C-I |
5 |
|
|
|
| chloride ion |
47 |
|
|
|
| bromide ion |
12 |
|
|
|
| iodide ion |
11 |
|
|
|
* 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 |
5 |
|
|
|
| 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 |
18 |
69 |
|
|
| imidazole |
* |
76 |
|
|
| guanidinium |
* |
3 |
|
|
* This search has not been done.
|
|
