• Drug Bank
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Records 3081 to 3100 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03489 mol2, pdbqt 126,92 0,114 178,139 -2,5048 6 4 0 -8,745 0,493317634140243 BBB+ HIA- Caco2-
DB03490 mol2, pdbqt 180,13 -3,575 233,273 2,4118 3 1 0 2,3388 0,816864763892931 BBB+ HIA+ Caco2-
DB03491 mol2, pdbqt 262,88 0,539 427,202 -7,5761 15 6 2 -29,18 0,425536940601725 BBB+ HIA+ Caco2-
DB03492 mol2, pdbqt 301,55 -6,571 573,708 1,3029 6 0 1 1,4171 0,337577624468152 BBB+ HIA+ Caco2+
DB03493 mol2, pdbqt 202,64 -1,726 298,278 -2,6736 10 5 0 2,3838 0,901744803585539 BBB+ HIA+ Caco2-
DB03495 mol2, pdbqt 419,26 0,586 645,605 -7,1771 19 14 3 -7,4041 0,286735592003102 BBB- HIA- Caco2-
DB03496 mol2, pdbqt 281,79 -3,869 401,845 3,5175 6 3 0 6,5998 0,702500954226063 BBB- HIA+ Caco2+
DB03497 mol2, pdbqt 117,31 1,247 185,156 -5,5326 7 3 0 -6,5481 0,494633814401038 BBB+ HIA+ Caco2-
DB03498 mol2, pdbqt 83,19 -0,943 126,072 -4,8521 3 0 0 -9,4531 0,493015794460365 BBB+ HIA+ Caco2-
DB03499 mol2, pdbqt 94,31 -0,075 134,087 -1,6884 5 3 0 0,70851 0,826420362246994 BBB+ HIA- Caco2-
DB03500 mol2, pdbqt 338,82 -6,129 354,616 9,2433 2 1 1 -25,216 0,146014595757253 BBB+ HIA+ Caco2+
DB03501 mol2, pdbqt 345,12 1,938 566,301 -9,07 19 9 3 -38,193 0,327582256253431 BBB+ HIA- Caco2-
DB03502 mol2, pdbqt 167,6 -0,336 238,263 -6,7197 7 5 0 -9,1482 0,487399729166199 BBB- HIA- Caco2-
DB03503 mol2, pdbqt 258,16 -0,462 341,367 -1,9799 10 5 0 5,3851 0,927647489678762 BBB- HIA- Caco2-
DB03504 mol2, pdbqt 311,12 -4,262 405,885 3,052 8 1 0 0,55304 0,338404305933465 BBB+ HIA+ Caco2+
DB03505 mol2, pdbqt 128,77 -2,765 176,179 0,4339 5 3 0 -1,8789 0,254749082430612 BBB+ HIA+ Caco2-
DB03506 mol2, pdbqt 105,86 -0,432 134,142 -1,0615 4 3 0 1,6237 0,906294687066833 BBB+ HIA+ Caco2-
DB03507 mol2, pdbqt 326,81 -2,811 456,546 2,0894 8 0 0 -0,0097533 0,563685518824633 BBB+ HIA+ Caco2-
DB03508 mol2, pdbqt 136,82 -0,447 148,201 0,2934 3 0 0 -15,079 0,176970935395689 BBB+ HIA+ Caco2+
DB03509 mol2, pdbqt 206,83 -4,025 283,717 2,5407 4 1 0 -0,57329 0,326631631973087 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3081 to 3100 of 6870
These data are only available for scientific research purposes.