Antifungal 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,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
flucytosine; flucytosin 2022-85-7 C4H4FN3O 129.09
-0.44
nifuroxime 555-15-7 C5H4N2O4 156.10
0.44
nifuroxime (Z) 6236-05-1 C5H4N2O4 156.10
0.44
azaserine 115-02-6 C5H7N3O4 173.13
-2.01
ticlatone 70-10-0 C7H4ClNOS 185.63
1.00
sodium benzoate  532-32-1 C7H5NaO2 144.10
2.19
2-chloro-3-methyl-5-hydroxyphenol 3446-05-7 C7H7ClO2 158.58
1.80
icofungipen 198022-65-0 C7H11NO2 141.17
-2.22
2,4,6-trichloro-3,5-dimethylphenol 6972-47-0 C8H7Cl3O 225.50
3.69
rimoprogin 37750-83-7 C8H7IN2OS 306.12
0.99
haloprogin 777-11-7 C9H4Cl3IO 361.39
0.65
chlorphenesin 104-29-0 C9H11ClO3 202.64
1.21
pyrrolnitrin 1018-71-9 C10H6Cl2N2O2 257.08
2.63
chlorquinaldol; chloroquinaldol 72-80-0 C10H7Cl2NO 228.08
2.76
cuprimyxin; see also CAS 29334-07-4 28069-65-0 C10H8O10S2 352.29
2.53
cryptosporiopsin 25707-30-6 C10H10Cl2O3 249.09
2.90
nifuratel 4936-47-4 C10H11N3O5S 285.28
2.06
n-propyl 4-hydroxybenzoate; propylparaben 94-13-3 C10H12O3 180.20
2.80
mercurobutol 498-73-7 C10H13ClHgO 385.26
2.96
lidimycin 10118-85-1 C10H14N2O3S 242.30
buclosamide 575-74-6 C11H14ClNO2 227.69
0.90
n-butyl 4-hydroxybenzoate; butyl paraben 94-26-8 C11H14O3 194.23
3.57
chlordantoin; clodantoin 5588-20-5 C11H17Cl3N2O2S 347.69
2.35
fenticlor 97-24-5 C12H8Cl2O2S 287.16
4.41
azaconazole 60207-31-0 C12H11Cl2N3O2 300.14
3.15
ciclopirox; ciclopiroxolamine 29342-05-0 C12H17NO2 207.27
3.09
loflucarban 790-69-2 C13H9Cl2FN2S 315.20
2.17
osalmid 526-18-1 C13H11NO3 229.23
2.97
ontianil 35727-72-1 C13H12ClNO2S 281.76
1.92
fluconazole 86386-73-4 C13H12F2N6O 306.28
2.57
DL-1'-acetoxychavicol acetate 52946-22-2 C13H14O4 234.25
1.98
alternariol 641-38-3 C14H10O5 258.23
3.39
azaribine 2169-64-4 C14H17N3O9 371.30
0.26
kalafungin 11048-15-0 C15H10O7 302.24
1.34
chlormidazole 3689-76-7 C15H13ClN2 256.74
1.67
dimazole 95-27-2 C15H23N3OS 293.43
2.68
sinefungin 58944-73-3 C15H23N7O5 381.39
-0.35
tioconazole 65899-73-2 C16H13Cl3N2OS 387.72
3.82
voriconazole 137234-62-9 C16H14F3N5O 349.32
2.44
nanafrocin 52934-83-5 C16H14O6 302.28
1.25
hydroxystilbamidine 495-99-8 C16H16N4O 280.33
2.19
altenusin 31186-12-6 C16H16O5 288.30
2.83
pecilocin 19504-77-9 C16H23NO3 277.36
2.04
azomethine H 32266-60-7 C17H11NO8S2 421.40
-2.35
oxamflatin 151720-43-3 C17H14N2O4S 342.37
2.75
griseofulvin 126-07-8 C17H17ClO6 352.77
2.18
sulbentine 350-12-9 C17H18N2S2 314.47
3.45
trichostatin A; TSA 58880-19-6 C17H22N2O3 302.37
2.02
becliconazole 112893-26-2 C18H12Cl2N2O 343.21
2.80
tioxaprofen 40198-53-6 C18H13Cl2NO3S 394.28
2.99
oxiconazole 64211-45-6 C18H13Cl4N3O 429.13
3.99
isoconazole 27523-40-6 C18H14Cl4N2O 416.13
4.07
miconazole 22916-47-8 C18H14Cl4N2O 416.13
4.07
oxiconazole nitrate 64211-46-7 C18H14Cl4N4O4 492.15
3.96
croconazole 77175-51-0 C18H15ClN2O 310.78
3.12
econazole 27220-47-9 C18H15Cl3N2O 381.69
3.46
sulconazole 61318-90-9 C18H15Cl3N2S 397.75
3.22
sulconazole nitrate 61318-91-0 C18H16Cl3N3O3S 460.77
3.28
honokiol 35354-74-6 C18H18O2 266.34
3.00
democonazole 70161-09-0 C19H15Cl3N2O2 409.70
3.86
rilopirox 104153-37-9 C19H16ClNO4 357.79
2.88
hypothemycin 76958-67-3 C19H22O8 378.38
2.85
epiroprim 73090-70-7 C19H23N5O2 353.43
1.15
trimetrexate 52128-35-5 C19H23N5O3 369.42
1.03
sanguinarium chloride 5578-73-4 C20H14ClNO4 367.79
3.17
arasertaconazol 583057-48-1 C20H15Cl3N2OS 437.78
3.87
sertaconazole 99592-32-2 C20H15Cl3N2OS 437.78
3.87
albaconazole 187949-02-6 C20H16ClF2N5O2 431.83
2.36
omoconazole 74512-12-2 C20H17Cl3N2O2 423.73
3.92
nidulin 10089-10-8 C20H17Cl3O5 443.71
3.49
neobavaisoflavone 41060-15-5 C20H18O4 322.36
4.58
isobavachalcone 20784-50-3 C20H20O4 324.38
2.79
tolciclate 50838-36-3 C20H21NOS 323.46
2.71
naftifine; naftifin 65472-88-0 C21H21N 287.41
5.05
abafungin 129639-79-8 C21H22N4OS 378.50
1.41
terbinafine 91161-71-6 C21H25N 291.44
3.42
terbinafine hydrochloride 78628-80-5 C21H26ClN 327.90
3.27
avarone 55303-99-6 C21H28O2 312.45
3.12
butylscopolammonium bromide 149-64-4 C21H30BrNO4 440.38
1.09
avarol 55303-98-5 C21H30O2 314.47
3.90
amorolfine 78613-35-1 C21H35NO 317.52
4.66
hexetidine 141-94-6 C21H45N3 339.61
1.90
flutrimazole 119006-77-8 C22H16F2N2 346.38
3.33
clotrimazole 23593-75-1 C22H17ClN2 344.84
3.36
isavuconazole 241479-67-4 C22H17F2N5OS 437.47
3.11
bifonazole 60628-96-8 C22H18N2 310.40
5.40
siccanin 22733-60-4 C22H30O3 342.48
3.31
saphenamycin 83198-27-0 C23H18N2O5 402.41
4.31
butenafine 101828-21-1 C23H27N 317.48
4.65
mevastatin 73573-88-3 C23H34O5 390.52
8.62
fenticonazole 72479-26-6 C24H20Cl2N2OS 455.41
4.39
acrisorcin 7527-91-5 C25H28N2O2 388.51
3.45
doconazole 59831-63-9 C26H22Cl2N2O3 481.38
5.13
ketoconazole 65277-42-1 C26H28Cl2N4O4 531.44
4.34
terconazole 67915-31-5 C26H31Cl2N5O3 532.47
3.61
penoctonium bromide 17088-72-1 C26H50BrNO2 488.60
3.51
embeconazole 329744-44-7 C27H25F3N4O3S 542.58
2.83
ambruticin 58857-02-6 C28H42O6 474.64
4.79
leptomycin A; jildamycin 87081-36-5 C32H46O6 526.71
6.29
isavuconazonium chloride 338990-84-4 C35H35ClF2N8O5S 753.22
3.17
itraconazole 84625-61-6 C35H38Cl2N8O4 705.65
2.93
saperconazole 110588-57-3 C35H38F2N8O4 672.74
2.75
pramiconazole 219923-85-0 C35H39F2N7O4 659.74
3.29
bafilomycin A1 88899-55-2 C35H58O9 622.84
0.83
filipin 480-49-9 C35H58O11 654.84
5.88
pentamycin; fungichromin 6834-98-6 C35H58O12 670.84
5.88
manzamine A 104196-68-1 C36H44N4O 548.77
1.98
monensin sodium 22373-78-0 C36H61NaO11 692.86
-0.14
monensin; monensin A 17090-79-8 C36H62O11 670.88
-0.14
posaconazole 171228-49-2 C37H42F2N8O4 700.79
2.77
setamycin; bafilomycin B1 80112-34-1 C44H65NO13 816.00
1.61
rutamycin 1404-59-7 C44H72O11 777.05
-0.14
concanamycin A 80890-47-7 C46H75NO14 866.10
1.95
cilofungin 79404-91-4 C49H71N7O17 1030.14
-0.77
caspofungin 162808-62-0 C52H88N10O15 1093.33
2.15
micafungin 235114-32-6 C56H71N9O23S 1270.29
1.99
caspofungin diacetate; L-743,872 179463-17-3 C56H96N10O19 1213.43
1.84
anidulafungin 166663-25-8 C58H73N7O17 1140.25
-0.25
partricin 11096-49-4 C58H84N2O19 1113.31
2.39
mepartricin; CAS also 62534-68-3 11121-32-7 C60H88N2O19 1141.36
2.32
basifungin 127785-64-2 C60H92N8O11 1101.44
-0.30
cyclosporin A 59865-13-3 C62H111N11O12 1202.63
-0.32
candicidin 1403-17-4 C63H085N21O19
-0.34


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