Tuberculostatic compounds [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
cyacetacide 140-87-4 C3H5N3O 99.09
-0.20
isoniazid 54-85-3 C6H7N3O 137.14
-0.70
4-aminosalicylic acid 65-49-6 C7H7NO3 153.14
0.89
nicothiazone 555-90-8 C7H8N4S 180.23
0.24
methaniazide 13447-95-5 C7H9N3O4S 231.23
-0.58
3'-azido-2',3'-dideoxy-5-bromouridine 105784-82-5 C9H10BrN5O4 332.12
-0.15
3'-azido-2',3'-dideoxy-5-chlorouridine 108441-51-6 C9H10ClN5O4 287.66
-0.05
navuridine; uravidine 84472-85-5 C9H11N5O4 253.22
-0.13
(+)-2'-deoxyuridine 951-78-0 C9H12N2O5 228.20
-1.16
protionamide 14222-60-7 C9H12N2S 180.27
0.70
iproniazid 54-92-2 C9H13N3O 179.22
-0.59
5-nitro-N-pyridin-3-ylfuran-2-carboxamide 5551-40-6 C10H7N3O4 233.18
1.20
thiacetazone; thiocarbazil 104-06-3 C10H12N4OS 236.29
0.84
alovudine 25526-93-6 C10H13FN2O4 244.22
-1.16
clevudine 163252-36-6 C10H13FN2O5 260.22
-1.16
subathizone 121-55-1 C10H13N3O2S2 271.36
2.13
5'-azido-5'-deoxythymidine 19316-85-9 C10H13N5O4 267.24
0.32
zidovudine 30516-87-1 C10H13N5O4 267.24
0.34
thymidine 50-89-5 C10H14N2O5 242.23
-1.16
5-hydroxymethyl-2'-deoxyuridine 5116-24-5 C10H14N2O6 258.23
-1.16
thymine arabinoside 605-23-2 C10H14N2O6 258.23
-1.16
thymine riboside 1463-10-1 C10H14N2O6 258.23
-1.16
morinamide 952-54-5 C10H14N4O2 222.25
-0.80
idramantone 20098-14-0 C10H14O2 166.22
2.17
3'-amino-2',3'-dideoxy-5-methyluridine 52450-18-7 C10H15N3O4 241.25
-1.12
4'-amino-2',4'-dideoxy-5-methyluridine 25152-20-9 C10H15N3O4 241.25
-1.13
furanylamide deriv. 725-83-7 C11H8N2O4 232.19
1.39
edoxudine; 5-ethyl-2'-deoxyuridine 15176-29-1 C11H16N2O5 256.26
-1.16
5-bromo-N-(3-methoxyphenyl)-2-furamide 75991-00-3 C12H10BrNO3 296.12
3.24
metazide 1707-15-9 C13H14N6O2 286.29
-0.28
terizidone 25683-71-0 C14H14N4O4 302.29
0.98
aconiazide 13410-86-1 C15H13N3O4 299.29
1.51
verazide 93-47-0 C15H15N3O3 285.30
2.82
pazufloxacin 127045-41-4 C16H15FN2O4 318.30
1.67
opiniazide 2779-55-7 C16H15N3O5 329.31
2.32
etocarlide 1234-30-6 C17H20N2O2S 316.42
1.40
dibekacin 34493-98-6 C18H37N5O8 451.52
-1.47
tiocarlide 910-86-1 C23H32N2O2S 400.58
5.68
enviomycin 33103-22-9 C25H43N13O10 685.70
2.16
viomycin 32988-50-4 C25H43N13O10 685.70
2.16
rifampicin; rifamycin 13292-46-1 C43H58N4O12 822.95
1.87


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