Anti-arrhythmics [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,
or consult TerraBase Inc.


timonacic 444-27-9 C4H7NO2S 133.17
-1.83
scoparone 120-08-1 C11H10O4 206.20
2.04
tocainide 41708-72-9 C11H16N2O 192.26
1.61
nifenalol; INPEA 7413-36-7 C11H16N2O3 224.26
1.28
bretylium [chloride] 59-41-6 C11H17BrClN 278.63
-0.37
mexiletine 31828-71-4 C11H17NO 179.26
2.15
meobentine 46464-11-3 C11H17N3O 207.28
3.45
alinidine 33178-86-8 C12H13Cl2N3 270.16
3.45
palatrigine 98410-36-7 C12H14Cl3N5 334.64
-0.64
dexsotalol 30236-32-9 C12H20N2O3S 272.37
0.24
sotalol 3930-20-9 C12H20N2O3S 272.36
0.24
dicarbine 17411-19-7 C13H18N2 202.30
2.06
procainamide 51-06-9 C13H21N3O 235.33
0.88
cicletanine 89943-82-8 C14H12ClNO2 261.71
2.46
simendan 131741-08-7 C14H12N6O 280.29
1.93
prifuroline 70833-07-7 C14H16N2O 228.29
3.05
nadoxolol 54063-51-3 C14H16N2O3 260.29
1.96
eprobemide 87940-60-1 C14H19ClN2O2 282.77
0.95
lidocaine 137-58-6 C14H22N2O 234.34
2.26
atenolol 29122-68-7 C14H22N2O3 266.34
0.16
lidocaine hydrochloride 73-78-9 C14H23ClN2O 270.80
2.08
indenolol 60607-68-3 C15H21NO2 247.34
3.09
recainam 74738-24-2 C15H25N3O 263.38
2.21
sulotroban 72131-33-0 C16H17NO5S 335.38
1.41
propanolol; propranolol 525-66-6 C16H21NO2 259.35
2.98
melperone 3575-80-2 C16H22FNO 263.36
3.31
capobenic acid 21434-91-3 C16H23NO6 325.36
0.65
pincainide 83471-41-4 C16H24N2O 260.38
2.20
glyoctamide 1038-59-1 C16H24N2O3S 324.44
2.49
flecainide 54143-55-4 C17H20F6N2O3 414.35
3.78
bucumolol 58409-59-9 C17H23NO4 305.37
1.76
primidolol 67227-55-8 C17H23N3O4 333.39
0.02
dazolicine 61477-97-2 C17H24ClN3S 337.92
3.38
bisaramil 89194-77-4 C17H24Cl2N2O2 359.30
3.23
tilisolol 85136-71-6 C17H24N2O3 304.39
1.07
cibenzoline 53267-01-9 C18H18N2 262.36
5.42
carcainium chloride 1042-42-8 C18H22ClN3O2 347.85
3.30
carocainide 66203-00-7 C18H25N3O5 363.41
1.38
pranolium chloride 42879-47-0 C18H26ClNO2 323.86
-1.58
bumecaine 30103-44-7 C18H28N2O 288.43
2.26
penbutolol 36507-48-9 C18H29NO2 291.43
7.24
benzobarbital 744-80-9 C19H16N2O4 336.35
1.47
flecainide acetate 54143-56-5 C19H24F6N2O5 474.40
3.78
tolamolol 38103-61-6 C19H24N2O4 344.41
3.03
drobuline 58473-73-7 C19H25NO 283.41
3.62
berlafenone 18965-97-4 C19H25NO2 299.41
4.46
milacainide 141725-10-2 C19H25N3O 311.43
3.21
emilium tosilate 30716-01-9 C19H27NO4S 365.49
-1.94
murocainide 66203-94-9 C19H27N3O5 377.44
1.38
dofetilide 115256-11-6 C19H27N3O5S2 441.57
1.27
almokalant 123955-10-2 C19H30N2O2S 350.52
3.43
amafolone 50588-47-1 C19H31NO2 305.46
3.68
tedisamil 90961-53-8 C19H32N2 288.48
1.91
pentisomide 96513-83-6 C19H33N3O 319.49
2.58
artilide 133267-19-3 C19H34N2O3S 370.56
0.24
cyclopiazonic acid 18172-33-3 C20H20N2O3 336.39
2.76
quifenadine 10447-39-9 C20H23NO 293.41
3.78
quinidine 56-54-2 C20H24N2O2 324.42
3.44
cetiedil 14176-10-4 C20H31NO2S 349.54
6.45
vernakalant 794466-70-9 C20H31NO4 349.47
2.87
nizofenone 54533-85-6 C21H21ClN4O3 412.88
3.86
rilmakalim 132014-21-2 C21H23NO5S 401.48
2.71
ambasilide 83991-25-7 C21H25N3O 335.45
1.39
epicainide 66304-03-8 C21H26N2O2 338.45
3.60
ersentilide 125279-79-0 C21H26N4O5S 446.53
1.66
propafenone 54063-53-5 C21H27NO3 341.45
4.63
nicainoprol 76252-06-7 C21H27N3O3 369.46
1.63
E-4031 113558-89-7 C21H27N3O3S 401.53
1.43
disopyramide (base) 3737-09-5 C21H29N3O 339.48
2.58
2-pyridineacetamide deriv. 54687-36-4 C21H30ClN3O 375.94
2.59
bunaftine 32421-46-8 C21H30N2O 326.48
1.95
bucainide 51481-62-0 C21H35N3 329.53
3.20
trecetilide 180918-68-7 C21H37FN2O3S 416.60
0.28
clofilium phosphate 68379-03-3 C21H38ClNO4P 434.96
2.71
moricizine; Ethmozine 31883-05-3 C22H25N3O4S 427.52
2.98
2-hydroxy-5-iodo-glyburide 128836-54-4 C22H26IN3O5S 571.43
0.83
lorajmine 47562-08-3 C22H27ClN2O3 402.92
1.68
diltiazem hydrochloride 33286-22-5 C22H27ClN2O4S 450.99
2.70
sequifenadine 57734-69-7 C22H27NO 321.46
3.97
modecainide 81329-71-7 C22H28N2O3 368.48
3.20
aprinidine 37640-71-4 C22H30N2 322.49
4.85
transcainide 88296-62-2 C22H35N3O2 373.54
2.79
glyburide; glibenclamide 10238-21-8 C23H28ClN3O5S 494.01
0.76
azimilide 149908-53-2 C23H28ClN5O3 457.96
2.84
pirolazamide 39186-49-7 C23H29N3O 363.50
3.74
eproxindine 83200-08-2 C23H29N3O3 395.50
3.44
diprafenone 81447-80-5 C23H31NO3 369.50
4.41
moxaprindine 53076-26-9 C23H32N2O 352.52
4.86
fosinoprilat 95399-71-6 C23H34NO5P 435.50
5.21
inakalant 335619-18-6 C23H34N4O5 446.55
1.51
actisomide 96914-39-5 C23H35N3O 369.55
3.12
isotalatisidine 7633-68-3 C23H37NO5 407.55
2.31
disobutamide 68284-69-5 C23H38ClN3O 408.03
2.77
cyheptropine 602-40-4 C24H27NO2 361.48
3.44
siratiazem 138778-28-6 C24H30N2O4S 442.58
2.70
terikalant (racemate); RP-58866 121277-96-1 C24H31NO3 381.52
3.36
falipamil 77862-92-1 C24H32N2O5 428.53
2.65
droprenilamine 57653-27-7 C24H33N 335.53
4.79
bepridil 64706-54-3 C24H34N2O 366.55
4.85
cassaine 468-76-8 C24H39NO4 405.58
3.20
erythrophleine; norcassamidine 36150-73-9 C24H39NO5 421.58
2.71
delcosine; iliensine 545-56-2 C24H39NO7 453.58
2.12
oxiramide 13958-40-2 C25H34N2O2 394.56
4.26
alprafenone 124316-02-5 C25H35NO4 413.56
4.26
eldelidine; deltamin 6836-10-8 C25H39NO7 465.59
3.19
browniine 5140-42-1 C25H41NO7 467.60
1.36
aconine 509-20-6 C25H41NO9 499.60
1.25
amiodarone hydrochloride 19774-82-4 C26H29ClI2NO3 681.78
7.57
piprofurol 40680-87-3 C26H33NO6 455.55
3.70
tiapamil 57010-31-8 C26H37NO8S2 555.71
-0.15
delcorine 52358-55-1 C26H41NO7 479.61
2.24
delphatine 25488-62-4 C26H43NO7 481.63
2.22
pyrinoline 1740-22-3 C27H20N4O 416.48
3.50
asocainol 77400-65-8 C27H31NO3 417.55
4.45
verapamil 52-53-9 C27H38N2O4 454.61
3.79
rotigaptide 355151-12-1 C28H39N7O9 617.65
-1.62
gallopamil 16662-47-8 C28H40N2O5 484.64
3.79
fenoxedil 54063-40-0 C28H42N2O5 486.65
4.12
levosemotiadil, (S)-isomer of semotiadil 116476-16-5 C29H32N2O6S 536.65
2.70
semotiadil, (R)-isomer 116476-13-2 C29H32N2O6S 536.65
2.70
bucromarone 78371-66-1 C29H37NO4 463.62
3.77
gomphoside 36597-51-0 C29H42O8 518.65
2.54
convallatoxin 508-75-8 C29H42O10 566.60
1.35
ouabain [anhydrous] 630-60-4 C29H44O12 584.66
1.28
ouabain [octahydrate] 11018-89-6 C29H44O12 584.66
1.36
ropitoin 56079-81-3 C30H33N3O3 483.61
4.87
N-deacetyl-lappaconitine 11033-64-0 C30H42N2O7 542.67
1.58
proscillaridin 466-06-8 C30H42O8 530.66
1.89
dronedarone 141626-36-0 C31H44N2O5S 556.77
3.07
ranaconitine 1360-76-5 C32H44N2O9 600.71
1.52
benzoylaconine 466-24-0 C32H45NO10 603.71
2.09
hypaconitine 6900-87-4 C33H45NO10 615.72
1.95
mesaconitine 2752-64-9 C33H45NO11 631.72
1.88
aconitine 302-27-2 C34H47NO11 645.75
1.84
celivarone 401925-43-7 C34H47NO4 533.75
3.61
hellebrin 13289-18-4 C36H52O15 724.80
1.26
methyl-lycaconitine 21019-30-7 C37H50N2O10 682.81
1.79
quinetalate 5714-76-1 C38H57N5O7 695.90
1.07
quinidine sulfate (2/1) 50-54-4 C40H50N4O8S 746.92
3.43
3,13,15-triacetylaconitine 67806-02-4 C40H53NO14 771.86
1.97
prednisolone steaglate 5060-55-9 C41H64O8 684.95
1.98
digitoxin 71-63-6 C41H64O13 764.95
1.26
metildigoxin 30685-43-9 C42H66O14 794.98
1.26
convallamarin 1391-12-4 C44H70O19 unavailable
ibutilide fumarate 122647-32-9 C44H76N4O10S2 885.24
1.64
deslanoside 17598-65-1 C47H74O19 943.09
3.85

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