• Drug Bank
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Records 4361 to 4380 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
DB05990 mol2, pdbqt 77,76 -5,309 420,631 4,7552 4 3 0 0,64487 0,395843404652454 BBB+ HIA+ Caco2+
DB06016 mol2, pdbqt 38,82 -4,281 427,418 4,0086 5 1 0 6,0536 0,615652584458738 BBB+ HIA+ Caco2+
DB06144 mol2, pdbqt 40,51 -6,89 440,948 4,4892 5 1 0 6,2171 0,383378172582614 BBB+ HIA+ Caco2-
DB06145 mol2, pdbqt 195,38 -3,882 843,061 1,9762 16 4 2 1,3358 0,233888352754022 BBB- HIA- Caco2-
DB06147 mol2, pdbqt 121,7 -2,758 255,321 0,9067 5 2 0 4,867 0,198042284392761 BBB+ HIA+ Caco2-
DB06148 mol2, pdbqt 6,48 -2,94 264,371 3,3133 2 0 0 5,5031 0,675024785136999 BBB+ HIA+ Caco2+
DB06150 mol2, pdbqt 124,81 -3,378 310,333 0,6505 8 2 0 3,5619 0,685790431786983 BBB+ HIA+ Caco2-
DB06151 mol2, pdbqt 105,2 -1,261 163,196 -0,9233 4 2 0 -13,049 0,489274621082555 BBB+ HIA+ Caco2-
DB06155 mol2, pdbqt 50,16 -6,398 463,795 4,2064 5 1 0 3,9827 0,402671950751834 BBB+ HIA+ Caco2-
DB06176 mol2, pdbqt 207,26 -4,581 540,704 2,7825 10 4 1 0,048612 0,397742959443538 BBB- HIA+ Caco2-
DB06196 mol2, pdbqt 551,96 -5,948 1304,54 -7,8966 32 15 3 -8,2734 0,159961762330573 BBB- HIA+ Caco2-
DB06201 mol2, pdbqt 73,8 -1,903 238,197 0,0679 5 1 0 -2,7071 0,507206238675247 BBB+ HIA+ Caco2-
DB06202 mol2, pdbqt 32,7 -4,921 413,559 5,5797 3 1 1 3,1797 0,263889463434962 BBB+ HIA+ Caco2-
DB06203 mol2, pdbqt 93,67 -3,878 339,398 1,0117 7 1 0 -2,3973 0,440924641595034 BBB+ HIA+ Caco2-
DB06204 mol2, pdbqt 23,47 -2,014 221,343 2,9215 2 1 0 4,4515 0,900768222530233 BBB+ HIA+ Caco2+
DB06206 mol2, pdbqt 972,16 -5,002 2002,16 -8,6888 48 24 3 -2,4293 0,162090696144968 BBB+ HIA- Caco2-
DB06207 mol2, pdbqt 97,05 -4,827 495,54 3,1061 7 3 0 -1,8973 0,308408565216326 BBB+ HIA+ Caco2-
DB06209 mol2, pdbqt 74,85 -4,085 373,447 2,9463 4 0 0 4,3002 0,730765185783088 BBB+ HIA+ Caco2+
DB06210 mol2, pdbqt 114,59 -5,395 442,474 5,8426 8 3 1 4,8368 0,136258960952116 BBB- HIA+ Caco2-
DB06211 mol2, pdbqt 195,74 -2,219 420,51 -3,6813 10 5 0 7,0633 0,835396830727081 BBB- HIA- Caco2-
Page 
 of 344
Records 4361 to 4380 of 6870
These data are only available for scientific research purposes.