Chemotherapeutics [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.


NAME CAS FORMULA MWTerraQSAR - LOGP
alafosfalin 60668-24-8 C5H13N2O4P 196.14
-0.43
isoniazid 54-85-3 C6H7N3O 137.14
-0.70
nifursemizone 5579-89-5 C8H10N4O4 226.19
0.25
nidroxyzone 405-22-1 C8H10N4O5 242.19
0.16
nitrosulfathiazole 473-42-7 C9H7N3O4S2 285.30
0.33
gemcitabine hydrochloride 122111-03-9 C9H12ClF2N3O4 299.66
-0.78
cytarabine 147-94-4 C9H13N3O5 243.22
-1.09
gemcitabine 95058-81-4 C9H15F2N3O4 267.23
-1.05
thiacetazone; thiocarbazil 104-06-3 C10H12N4OS 236.29
0.84
nifurdazil 5036-03-3 C10H12N4O5 268.23
-0.40
nifurvidine 1900-13-6 C11H9N3O4 247.21
0.53
nifurmazole 18857-59-5 C11H10N4O6 294.22
-0.09
methoxalen; xanthotoxin 298-81-7 C12H8O4 216.19
1.90
temodox 34499-96-2 C12H12N2O5 264.24
-2.34
nifurpipone 24632-47-1 C12H17N5O4 295.30
0.39
maleylsulfathiazole 515-57-1 C13H11N3O5S2 353.37
1.34
nifurfoline 3363-58-4 C13H15N5O6 337.29
-0.21
melphalan 148-82-3 C13H18Cl2N2O2 305.20
0.76
nifuroquine 57474-29-0 C14H8N2O6 300.23
0.16
sulfacecole 21662-79-3 C14H17N3O5S 339.37
0.96
sulfaclorazole 54063-55-7 C16H15ClN4O2S 362.84
0.96
tetroxoprim 53808-87-0 C16H22N4O4 334.38
0.91
ondansetron 116002-70-1 C18H19N3O 293.37
1.74
granisetron 109889-09-0 C18H24N4O 312.42
2.07
gefitinib; ZD-1839 184475-35-2 C22H24ClFN4O3 446.91
3.37
alexidine 22573-93-9 C26H56N10 508.80
-0.83
etoposide 33419-42-0 C29H32O13 588.56
2.01
ZK-EPO; epothilone B analogue C30H41NO6S 543.72
4.83


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