• Drug Bank
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Records 3181 to 3200 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
DB03606 mol2, pdbqt 215,29 -3,41 275,347 2,6544 4 1 0 0,3508 0,672517418402204 BBB+ HIA+ Caco2+
DB03607 mol2, pdbqt 251,6 0,645 345,566 -1,1982 8 5 0 -20,697 0,371866219553131 BBB+ HIA- Caco2-
DB03608 mol2, pdbqt 225,16 -1,706 281,322 2,7742 7 5 0 -4,2209 0,164833232691357 BBB+ HIA+ Caco2+
DB03609 mol2, pdbqt 183,03 -1,566 267,244 -1,9555 9 5 0 -0,63836 0,642882718933478 BBB+ HIA+ Caco2-
DB03610 mol2, pdbqt 109,07 -2,098 162,11 2,1622 1 1 0 -9,31 0,469524219773907 BBB+ HIA+ Caco2+
DB03611 mol2, pdbqt 107,38 -0,521 131,13 -3,2819 4 2 0 -7,8383 0,494390551286098 BBB- HIA+ Caco2-
DB03612 mol2, pdbqt 566,29 0,876 853,627 -10,307 25 10 3 -46,592 0,253183679855493 BBB- HIA+ Caco2-
DB03613 mol2, pdbqt 601,51 -0,981 901,671 -8,5169 25 10 3 -29,421 0,249775919720522 BBB- HIA+ Caco2-
DB03614 mol2, pdbqt 923,18 -9,509 1345,41 -0,8282 27 10 3 -27,872 0,126180734427873 BBB- HIA- Caco2-
DB03615 mol2, pdbqt 262,38 0,012 454,475 -6,9638 14 10 2 0,52094 0,662285970159231 BBB- HIA- Caco2-
DB03616 mol2, pdbqt 750,94 -7,477 946,145 3,8691 19 4 2 1,6037 2,82172514990393E-02 BBB- HIA+ Caco2-
DB03617 mol2, pdbqt 607,18 0,172 937,888 -8,9979 27 18 3 -6,9929 0,250820007159036 BBB- HIA- Caco2-
DB03618 mol2, pdbqt 255,05 0,213 383,349 -4,2748 12 8 2 -3,8067 0,45906441141982 BBB- HIA- Caco2-
DB03619 mol2, pdbqt 77,76 -4,879 392,578 4,0315 4 3 0 0,23822 0,165193566322182 BBB+ HIA+ Caco2+
DB03621 mol2, pdbqt 712,2 -6,713 937,176 5,9344 15 3 3 2,9183 0,180945746862125 BBB- HIA+ Caco2-
DB03622 mol2, pdbqt 244,66 -2,314 331,371 0,4487 7 3 0 4,8897 0,903437954826147 BBB- HIA+ Caco2-
DB03623 mol2, pdbqt 206,09 -4,923 272,306 3,4826 3 1 0 -1,7716 0,383802531563562 BBB+ HIA+ Caco2+
DB03624 mol2, pdbqt 187,74 -2,088 232,279 -1,5008 6 4 0 -9,0444 0,146652208826465 BBB+ HIA- Caco2-
DB03626 mol2, pdbqt 239,47 -3,321 311,336 2,0228 5 0 0 4,523 0,511280069106674 BBB+ HIA+ Caco2+
DB03627 mol2, pdbqt 105,56 -2,962 136,237 2,5428 0 0 0 -1,284 0,328372620583149 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3181 to 3200 of 6870
These data are only available for scientific research purposes.