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charged pyridine	uncharged pyridine

uncharged pyridine

(PDB scatterplots for charged and uncharged pyridine 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			9885	9993
any polar X-H (X= N,O or S)			4994	4813

* 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			4934	6073
methylene			1997	1537
methyl			1997	2525
any aromatic C-H			4989	3031
substituted aromatic carbon			2497	500
phenyl			1423	581

* 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			4951	1733
any uncharged NH			4971	*
any cationic NH			1854	*
aromatic cationic N-H			1044	*
amide NH			1650	516
uncharged C(sp²)/C(ar)-NH2			1681	*
cationic RNH3			174	238
cationic R3NH			19	*

* 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			4980	2963
alcohol OH			3246	409
phenol OH			3319	342
water			3296	2212

* 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			3293	99
cyano			3221
pyramidal R3N			215	*
uncharged planar R3N			2107	6
cationic planar R3N			156
any terminal O			4987	3243
any C=O			4994	3243
amide C=O			1627	1428
ester C=O			1971
carboxylate			1370	1208
aliphatic ether			657
linking O in esters			1309
aromatic O			590
sulfoxide/sulfone O			740
nitro			2462	*

* 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			9988	268
any C=S			2828
aliphatic thioether			122	131
aromatic S			1265

* 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			4994
any C-Cl			4941
any C-Br			2922
any C-I			3257
chloride ion			993
bromide ion			436
iodide ion			434

* 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			5
sodium ion			53
potassium ion			67
rubidium ion			1
cesuim ion			17

* 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			1628	346
imidazole			*	344
guanidinium			*	231

* This search has not been done.

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