• Drug Bank
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 of 344
Records 1481 to 1500 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
DB01762 mol2, pdbqt 81,37 -0,651 102,089 -0,4433 3 1 0 -8,8145 0,296244377564626 BBB+ HIA+ Caco2-
DB01763 mol2, pdbqt 452,87 -0,126 759,474 -10,342 23 9 3 -32,701 0,259648077534419 BBB+ HIA- Caco2-
DB01764 mol2, pdbqt 184,8 -2,859 690,856 2,325 13 2 2 5,8388 0,299913414958365 BBB- HIA+ Caco2-
DB01765 mol2, pdbqt 210,39 -6,359 292,293 2,1164 5 2 0 2,5408 0,543266918179361 BBB+ HIA+ Caco2-
DB01766 mol2, pdbqt 166,74 -3,147 215,251 -0,3548 3 2 0 -11,045 0,457644309063896 BBB+ HIA+ Caco2+
DB01767 mol2, pdbqt 221,47 -1,586 290,329 1,142 6 4 0 0,29137 0,737032439468425 BBB+ HIA+ Caco2-
DB01768 mol2, pdbqt 322,49 -1,89 467,426 -1,871 12 6 2 -5,9509 0,234848910328352 BBB- HIA- Caco2-
DB01771 mol2, pdbqt 272,68 -4,95 369,851 1,9635 5 3 0 -0,83764 0,26360977421906 BBB+ HIA+ Caco2-
DB01772 mol2, pdbqt 295,99 -2,731 409,416 0,3373 7 4 0 4,4541 0,824295175154583 BBB- HIA+ Caco2-
DB01773 mol2, pdbqt 424,48 -1,988 571,562 -1,4425 13 5 2 -21,431 0,316543583176131 BBB+ HIA- Caco2-
DB01774 mol2, pdbqt 363,22 0,204 589,342 -8,4368 20 9 3 -34,512 0,312893326475849 BBB+ HIA- Caco2-
DB01775 mol2, pdbqt 71,47 0,108 90,0776 -1,4748 3 2 0 -1,6787 0,344616001106665 BBB+ HIA+ Caco2-
DB01776 mol2, pdbqt 91,87 -1,664 108,14 1,6578 1 1 0 -2,315 6,79195246977969E-02 BBB+ HIA+ Caco2+
DB01777 mol2, pdbqt 699,7 -2,262 1009,86 -6,6239 26 11 3 -32,222 0,242935555851502 BBB- HIA+ Caco2-
DB01778 mol2, pdbqt 133,27 -1,436 195,181 -1,1012 7 3 0 3,0104 0,949903046991666 BBB+ HIA+ Caco2-
DB01779 mol2, pdbqt 112,69 1,739 172,072 -4,6874 6 4 0 -21,692 0,494899760982719 BBB+ HIA- Caco2-
DB01780 mol2, pdbqt 504,03 -4,126 680,829 2,7489 12 4 2 -5,639 0,107829449573652 BBB+ HIA+ Caco2-
DB01782 mol2, pdbqt 160,2 -4,482 220,231 2,4774 3 1 0 1,371 0,415204702892793 BBB+ HIA+ Caco2-
DB01784 mol2, pdbqt 116,71 -1,829 175,183 0,5244 3 1 0 -1,8525 0,547725992633777 BBB+ HIA+ Caco2+
DB01785 mol2, pdbqt 163,08 1,743 246,091 -4,388 7 3 0 -30,494 0,488354016676145 BBB+ HIA- Caco2-
Page 
 of 344
Records 1481 to 1500 of 6870
These data are only available for scientific research purposes.