|
prolyl (P); down conformer
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 |
8387 |
9973 |
|
|
| any polar X-H (X= N,O or S) |
409 |
3327 |
|
|
* 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 |
3692 |
2748 |
|
|
| methylene |
668 |
398 |
|
|
| methyl |
766 |
520 |
|
|
| any aromatic C-H |
971 |
1210 |
|
|
| substituted aromatic carbon |
130 |
509 |
|
|
| phenyl |
246 |
163 |
|
|
* 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 |
259 |
577 |
|
|
| any uncharged NH |
235 |
* |
|
|
| any cationic NH |
10 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
170 |
68 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
28 |
* |
|
|
| cationic RNH3 |
2 |
13 |
|
|
| 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 |
150 |
2728 |
|
|
| alcohol OH |
26 |
849 |
|
|
| phenol OH |
4 |
57 |
|
|
| water |
60 |
1822 |
|
|
* 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 |
8 |
478 |
|
|
| cyano |
20 |
3 |
|
|
| pyramidal R3N |
2 |
* |
|
|
| uncharged planar R3N |
33 |
52 |
|
|
| cationic planar R3N |
|
5 |
|
|
|
| any terminal O |
758 |
933 |
|
|
| any C=O |
813 |
933 |
|
|
| amide C=O |
352 |
221 |
|
|
| ester C=O |
100 |
14 |
|
|
| carboxylate |
10 |
200 |
|
|
| aliphatic ether |
19 |
|
|
|
| linking O in esters |
42 |
5 |
|
|
| aromatic O |
|
3 |
|
|
| sulfoxide/sulfone O |
1 |
|
|
|
| nitro |
18 |
* |
|
|
* 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 |
42 |
119 |
|
|
| any C=S |
12 |
5 |
|
|
| aliphatic thioether |
5 |
30 |
|
|
| aromatic S |
13 |
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
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
87 |
51 |
|
|
| any C-Cl |
53 |
25 |
|
|
| any C-Br |
17 |
8 |
|
|
| any C-I |
2 |
2 |
|
|
| chloride ion |
4 |
|
|
|
| bromide ion |
|
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
|
80 |
|
|
| potassium ion |
|
16 |
|
|
| 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 |
45 |
182 |
|
|
| imidazole |
* |
7 |
|
|
| guanidinium |
* |
47 |
|
|
* This search has not been done.
|
|
