• Drug Bank
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Records 281 to 300 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
DB00403 mol2, pdbqt 585,08 -4,748 1352,42 -6,8549 34 17 3 7,6725 0,390589006253599 BBB- HIA+ Caco2-
DB00404 mol2, pdbqt 43,07 -5,896 308,771 2,6195 4 0 0 3,2065 0,577888317484661 BBB+ HIA+ Caco2+
DB00405 mol2, pdbqt 16,13 -2,724 319,245 3,4729 2 0 0 1,7906 0,764942919935655 BBB+ HIA+ Caco2+
DB00406 mol2, pdbqt 18,84 -3,473 372,534 2,5031 3 0 0 -3,3892 8,90121376962299E-02 BBB+ HIA+ Caco2+
DB00408 mol2, pdbqt 28,07 -3,993 327,814 3,5564 4 0 0 7,1637 0,443502151491169 BBB+ HIA+ Caco2+
DB00409 mol2, pdbqt 50,8 -2,978 371,274 2,4991 5 1 0 4,9589 0,823333091255134 BBB+ HIA+ Caco2+
DB00410 mol2, pdbqt 146,05 -3,769 500,626 3,0515 9 4 1 -20,031 0,311491387074676 BBB- HIA- Caco2-
DB00411 mol2, pdbqt 55,56 -0,008 147,197 -1,7819 4 1 0 3,7119 0,977151959856803 BBB+ HIA+ Caco2+
DB00412 mol2, pdbqt 96,83 -3,666 357,433 2,1619 6 1 0 7,5038 0,804105785497456 BBB+ HIA+ Caco2-
DB00413 mol2, pdbqt 79,18 -2,814 211,332 1,8629 3 2 0 2,0874 0,865121760877189 BBB+ HIA+ Caco2-
DB00415 mol2, pdbqt 138,03 -1,565 349,41 -1,6572 7 3 0 9,3648 0,914368848521567 BBB- HIA- Caco2-
DB00417 mol2, pdbqt 121,24 -1,852 350,394 1,1143 7 2 0 10,798 0,540303882472329 BBB- HIA- Caco2-
DB00418 mol2, pdbqt 75,27 -2,796 238,286 1,5657 5 2 0 5,2311 0,197343969987724 BBB+ HIA+ Caco2-
DB00419 mol2, pdbqt 84,16 -0,277 219,28 -0,8458 5 4 0 2,5386 0,941832946100473 BBB- HIA+ Caco2-
DB00420 mol2, pdbqt 31,78 -4,065 284,426 4,0009 2 0 0 5,583 0,257793046541045 BBB+ HIA+ Caco2+
DB00421 mol2, pdbqt 85,74 -4,349 416,58 3,2098 4 0 0 -0,62033 0,269661263676026 BBB+ HIA+ Caco2+
DB00422 mol2, pdbqt 38,33 -2,609 233,31 2,0902 3 1 0 -2,515 0,491751158002746 BBB+ HIA+ Caco2+
DB00423 mol2, pdbqt 91,01 -1,989 241,242 0,2939 6 2 0 1,4762 0,690268508161596 BBB+ HIA+ Caco2-
DB00424 mol2, pdbqt 49,77 -2,612 289,374 1,9288 4 1 0 3,0135 0,880975564909142 BBB+ HIA+ Caco2+
DB00425 mol2, pdbqt 37,61 -4,995 307,396 2,7975 4 0 0 4,3181 0,405975798646511 BBB+ HIA+ Caco2+
Page 
 of 344
Records 281 to 300 of 6870
These data are only available for scientific research purposes.