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Compare ACD/Labs pKa Products

ACD/LogD Sol Suite

ACD/PhysChem Batch (pKa Module)


 

ACD/pKa DB

Aqueous Solution Reference Database Statistics, Page 5

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Compound Class Struct. ± Δ
CH acids 542 ± 0.3
nitro methanes

191

± 0.3

other

, , , etc.

351

± 0.3

Other acids 572 ± 0.4
Boronic acids

25

± 0.5

Phosphonic acids and Phosphites

245

± 0.4

Phosphorus acids and Phosphates

151

± 0.4

Phosphonous acids

22

± 0.4

Arsonic acids and Arsenates

56

± 0.4

Protonated amines 6293 ± 0.3
all primary amines

3147

± 0.3

all secondary amines

1740

± 0.35

all tertiary amines

1605

± 0.35

anilines

1218

± 0.25

guanidines and biguanides

143

± 0.4

carbamides, semicarbazides

48

± 0.4

α-amino acids 1046 ± 0.3
mono-peptides

249

± 0.25

di-peptides

151

± 0.3

tri-peptides

55

± 0.3

tetra-peptides

32

± 0.4

penta-peptides

12

± 0.4

iminodiacetic acids

147

± 0.3

Sugars 85 ± 0.4
furanose-containing sugars and derivatives

47

± 0.4

pyranose-containing sugars and derivatives

41

± 0.4

Bases 1061 ± 0.4
purine derivatives (adenine, guanine, xanthine, hypoxanthine)

215

± 0.4

pyrimidine derivatives (cytosine, uracil, thymine)

834

± 0.4

nucleotides and nucleosides

111

± 0.4

Other bioactive compounds   ± 0.4
e.g., atropine, cocaine, morphine, strychnine, etc. 18

± 0.4

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This page was last updated 04 April 2008
 

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