• Drug Bank
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 of 344
Records 3381 to 3400 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
DB03826 mol2, pdbqt 98,38 -2,326 142,118 -2,1465 6 4 0 1,5616 0,702026645197655 BBB+ HIA+ Caco2-
DB03827 mol2, pdbqt 378,85 -2,156 452,546 0,8378 8 1 0 -41,263 0,142322518692458 BBB+ HIA- Caco2-
DB03828 mol2, pdbqt 171,07 -1,202 244,138 -1,7206 6 2 0 -22,874 0,483262506436233 BBB+ HIA+ Caco2-
DB03829 mol2, pdbqt 202,56 0,746 324,181 -6,2575 11 6 2 -18,6 0,37776589016594 BBB+ HIA- Caco2-
DB03830 mol2, pdbqt 267,18 -1,097 392,267 -3,9653 12 5 1 -16,941 0,441713889702773 BBB+ HIA- Caco2-
DB03831 mol2, pdbqt 325,37 -4,343 356,545 6,0592 4 2 1 -27,006 0,240929218535316 BBB+ HIA+ Caco2-
DB03832 mol2, pdbqt 254,02 -1,488 288,406 1,1044 5 1 0 -25,084 0,47000194154611 BBB+ HIA- Caco2+
DB03833 mol2, pdbqt 177,15 -1,861 223,275 0,8238 5 1 0 -2,5522 0,511953353392253 BBB+ HIA+ Caco2-
DB03834 mol2, pdbqt 209,84 -0,413 302,31 -3,3914 9 2 0 -3,3617 0,188991424729911 BBB- HIA+ Caco2-
DB03835 mol2, pdbqt 195,02 -0,455 305,242 -3,6892 11 6 2 1,8267 0,884939675874793 BBB- HIA+ Caco2-
DB03836 mol2, pdbqt 119,52 -3,824 181,449 3,4776 0 0 0 -2,0851 0,169413081527869 BBB+ HIA+ Caco2+
DB03837 mol2, pdbqt 411,66 -4,76 527,684 3,1954 8 2 1 -4,494 0,259713818147545 BBB- HIA+ Caco2-
DB03839 mol2, pdbqt 138,49 -1,245 181,19 -1,8949 4 3 0 -11,045 0,48877064551685 BBB- HIA+ Caco2-
DB03840 mol2, pdbqt 61,59 -0,431 68,0788 -0,1802 2 1 0 0,44659 0,286673759433575 BBB+ HIA+ Caco2-
DB03841 mol2, pdbqt 237,74 -3,062 299,329 1,7239 6 1 0 -8,1244 0,441147091187781 BBB+ HIA+ Caco2+
DB03842 mol2, pdbqt 107,24 -1,558 121,182 0,9346 1 1 0 -4,2778 0,492177791908973 BBB+ HIA+ Caco2+
DB03843 mol2, pdbqt 17,07 -0,58 30,0259 -0,1834 1 0 0 -2,3891 6,95080302544481E-02 BBB+ HIA+ Caco2+
DB03844 mol2, pdbqt 225,79 -3,471 326,322 1,4821 5 2 0 0,52824 0,690839793959325 BBB+ HIA+ Caco2-
DB03845 mol2, pdbqt 562,88 1,672 916,368 -16,378 32 9 3 -39,99 0,251520085780988 BBB+ HIA- Caco2-
DB03846 mol2, pdbqt 216,53 0,909 338,208 -5,515 11 5 1 -18,095 0,467988558111794 BBB+ HIA- Caco2-
Page 
 of 344
Records 3381 to 3400 of 6870
These data are only available for scientific research purposes.