Lactoglobulin (beta) binders

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).

For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME CAS FORMULA MWTerraQSAR - LOGP
isopropyl acetate 108-21-4 C5H10O2 102.13
1.24
ethyl propionate 105-37-3 C5H10O2 102.13
1.23
propyl acetate 109-60-4 C5H10O2 102.13
1.23
3-methyl-2-methoxypyrazine 2847-30-5 C6H8N2O 124.14
1.43
4-hydroxy-2,5-dimethyl-3(2H)-furanone; furaneol 3658-77-3 C6H8O3 128.13
0.79
3-hydroxy-4,5-dimethyl-2(5H)-furanone; sotolone 28664-35-9 C6H8O3 128.13
0.96
ethyl butyrate 105-54-4 C6H12O2 116.16
1.78
propyl propionate 106-36-5 C6H12O2 116.16
1.47
n-butyl acetate 123-86-4 C6H12O2 116.16
1.78
benzaldehyde 100-52-7 C7H6O 106.12
1.48
2-ethyl-3-methoxypyrazine; 3-ethyl-2-methoxypyrazine 25680-58-4 C7H10N2O 138.17
1.80
2-ethyl-4-hydroxy-5-methyl-3(2H)furanone; ethylfuraneol 27538-10-9 C7H10O3 142.15
1.09
4-methoxy-2,5-dimethyl-3(2H)-furanone; mesifurane 4077-47-8 C7H10O3 142.15
0.95
1-hepten-3-ol 4938-52-7 C7H14O 114.19
0.36
n-butyl propionate 590-01-2 C7H14O2 130.19
2.02
methyl hexanoate 106-70-7 C7H14O2 130.19
2.29
isoamyl acetate; isopentyl acetate 123-92-2 C7H14O2 130.19
2.25
n-pentyl acetate 628-63-7 C7H14O2 130.19
2.30
2-isopropyl-3-methoxypyrazine; 3-isopropyl-2-methoxypyrazine 25773-40-4 C8H12N2O 152.20
1.34
2-octenal 2363-89-5 C8H14O 126.20
0.34
delta-octalactone 698-76-0 C8H14O2 142.20
3.25
propyl pentanoate; propyl valerate 141-06-0 C8H16O2 144.21
2.48
methyl heptanoate 106-73-0 C8H16O2 144.21
3.06
4-ethenyl-2-methoxyphenol; 4-vinylguaiacol 7786-61-0 C9H10O2 150.18
2.27
2-isobutyl-3-methoxypyrazine 24683-00-9 C9H14N2O 166.22
1.45
1-nonene-3-ol 21964-44-3 C9H18O 142.24
1.65
hexyl propionate 2445-76-3 C9H18O2 158.24
3.20
propyl hexanoate 626-77-7 C9H18O2 158.24
3.20
pulegone 89-82-7 C10H16O 152.24
3.49
4-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-2-en-4-one; beta-damascenone 23696-85-7 C13H18O 190.29
3.77


These data provided free by TerraBase Inc.

Copyright © 2004 by TerraBase Inc.