Antithrombotics [selection]

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


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,


NAME CAS FORMULA MWTerraQSAR - LOGP
ozagrel 82571-53-7-[a] C13H12N2O2 228.25
2.43
fluretofen 56917-29-4 C14H9F 196.22
4.60
ticlopidine 55142-85-3 C14H14ClNS 263.79
3.73
ticlopidine hydrochloride 53885-35-1 C14H15Cl2NS 300.25
4.41
odiparcil 137215-12-4 C15H16O6S 324.35
2.18
naroparcil 120819-70-7 C19H17NO4S 355.41
2.46
nafamostat 81525-10-2 C19H17N5O2 347.38
0.54
mipitroban 136122-46-8 C19H19Cl2N3O2 392.29
2.92
ramatroban 116649-85-5 C21H21FN2O4S 416.47
1.95
roxifiban 170902-47-3 C21H29N5O6 447.49
2.74
efegatran 105806-65-3 C21H32N6O3 416.53
1.17
iloprost 78919-13-8 C22H32O4 360.49
7.26
argatroban 74863-84-6 C23H36N6O5S 508.64
-0.34
edoxaban 480449-70-5 C24H30ClN7O4S 548.07
2.93
ximelagatran 192939-46-1 C24H35N5O5 473.57
0.77
trifenagrel 84203-09-8 C25H25N3O 383.49
5.10
tanogitran 637328-69-9 C25H31N7O3 477.57
2.52
ifetroban 143443-90-7 C25H32N2O5 440.54
3.10
fondaparin sodium 114870-03-0-[b] C31H43N3Na10O49S8 1728.07
-3.66
fondaparin; Org-31540 114870-03-0-[a] C31H53N3O49S8 1508.25
-2.90
dabigatran etexilate 211915-06-9 C34H41N7O5 627.75
3.87
idrabiotaparinux sodium 405159-59-3 C53H79N4Na9O51S8 2051.61
0.91


These data provided free by TerraBase Inc.

Copyright © 2004-2017 TerraBase Inc.