|
pyrazol-1-yl
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 |
9945 |
1664 |
|
|
| any polar X-H (X= N,O or S) |
2709 |
573 |
|
|
* 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 |
4944 |
730 |
|
|
| methylene |
962 |
210 |
|
|
| methyl |
1991 |
275 |
|
|
| any aromatic C-H |
4995 |
251 |
|
|
| substituted aromatic carbon |
1605 |
40 |
|
|
| phenyl |
1393 |
88 |
|
|
* 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 |
1310 |
166 |
|
|
| any uncharged NH |
389 |
* |
|
|
| any cationic NH |
190 |
* |
|
|
| aromatic cationic N-H |
40 |
* |
|
|
| amide NH |
115 |
76 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
101 |
* |
|
|
| cationic RNH3 |
5 |
9 |
|
|
| 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 |
1398 |
398 |
|
|
| alcohol OH |
166 |
65 |
|
|
| phenol OH |
170 |
24 |
|
|
| water |
317 |
309 |
|
|
* 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 |
3330 |
5 |
|
|
| cyano |
228 |
|
|
|
| pyramidal R3N |
8 |
* |
|
|
| uncharged planar R3N |
93 |
|
|
|
| cationic planar R3N |
3 |
|
|
|
|
| any terminal O |
2776 |
220 |
|
|
| any C=O |
1555 |
220 |
|
|
| amide C=O |
172 |
121 |
|
|
| ester C=O |
349 |
|
|
|
| carboxylate |
20 |
47 |
|
|
| aliphatic ether |
44 |
|
|
|
| linking O in esters |
149 |
|
|
|
| aromatic O |
44 |
|
|
|
| sulfoxide/sulfone O |
48 |
|
|
|
| nitro |
825 |
* |
|
|
* 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 |
427 |
43 |
|
|
| any C=S |
102 |
|
|
|
| aliphatic thioether |
3 |
31 |
|
|
| aromatic S |
70 |
|
|
|
* 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 |
725 |
|
|
|
| any C-Cl |
591 |
|
|
|
| any C-Br |
197 |
|
|
|
| any C-I |
106 |
|
|
|
| chloride ion |
35 |
|
|
|
| bromide ion |
9 |
|
|
|
| iodide ion |
6 |
|
|
|
* 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 |
4 |
|
|
|
| sodium ion |
1 |
|
|
|
| potassium ion |
1 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
64 |
24 |
|
|
| imidazole |
* |
41 |
|
|
| guanidinium |
* |
12 |
|
|
* This search has not been done.
|
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