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carboxylic acid (D,E), charged	carboxylic acid (D,E), uncharged; cis	carboxylic acid (D,E), uncharged; trans

carboxylic acid (D,E), uncharged; cis

(PDB scatterplots for all the above groups 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			9991	9985
any polar X-H (X= N,O or S)			4975	9994

* 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			4995	9994
methylene			1991	1937
methyl			1977	1175
any aromatic C-H			4985	1427
substituted aromatic carbon			651	150
phenyl			734	281

* 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			3738	4842
any uncharged NH			1283	*
any cationic NH			1304	*
aromatic cationic N-H			163	*
amide NH			340	823
uncharged C(sp²)/C(ar)-NH2			345	*
cationic RNH3			381	498
cationic R3NH			35	*

* 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			4974	9994
alcohol OH			949	4982
phenol OH			100	376
water			984	9975

* 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			1438	1006
cyano			43	65
pyramidal R3N			43	*
uncharged planar R3N			158	120
cationic planar R3N			16	53
any terminal O			4990	2004
any C=O			4978	2004
amide C=O			339	662
ester C=O			110	83
carboxylate			750	582
aliphatic ether			45
linking O in esters			51	62
aromatic O			33	27
sulfoxide/sulfone O			44	6
nitro			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

Sulfur
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
any S			298	304
any C=S			26	13
aliphatic thioether			16	66
aromatic S			83	54

* 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			159	257
any C-Cl			200	152
any C-Br			73	23
any C-I			13	8
chloride ion			123	18
bromide ion			25	1
iodide ion			8	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

Alkali Metal
Links to statistical data			Links to theoretical energy data
Contact Group			CSD	PDB	Stats	Theory
lithium ion			11	5
sodium ion			19	106
potassium ion			63	19
rubidium ion			33	2
cesuim ion			28

* 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			461	336
imidazole			*	169
guanidinium			*	798

* This search has not been done.

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