• Drug Bank
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Records 841 to 860 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
DB00993 mol2, pdbqt 143,4 -2,443 277,268 -0,6232 9 1 0 -2,744 0,106647207659928 BBB+ HIA+ Caco2+
DB00995 mol2, pdbqt 139,73 -3,915 679,499 2,592 9 0 1 -8,813 6,65905883474189E-02 BBB+ HIA- Caco2-
DB00996 mol2, pdbqt 63,32 -1,801 171,239 -1,2204 3 2 0 -5,2429 0,487615087645681 BBB+ HIA+ Caco2-
DB00997 mol2, pdbqt 206,07 -4,507 543,523 0,1673 12 6 3 6,6484 0,332107826799606 BBB- HIA- Caco2-
DB00998 mol2, pdbqt 70,91 -2,939 243,309 1,0987 4 3 0 1,2967 0,815570008881117 BBB+ HIA+ Caco2-
DB00999 mol2, pdbqt 135,12 -2,539 297,743 -0,3795 7 3 0 5,6655 0,198289929340122 BBB- HIA+ Caco2-
DB01000 mol2, pdbqt 138,03 -1,854 341,431 -1,5083 7 3 0 3,4233 0,540413951364852 BBB- HIA- Caco2-
DB01001 mol2, pdbqt 72,72 -1,431 239,314 0,5792 4 4 0 8,0069 0,959706633546408 BBB- HIA+ Caco2-
DB01002 mol2, pdbqt 32,34 -3,643 288,433 3,7111 3 1 0 1,379 0,41627241356297 BBB+ HIA+ Caco2+
DB01003 mol2, pdbqt 165,89 -4,301 468,369 0,7318 11 3 1 0,19569 0,51109183091797 BBB+ HIA+ Caco2-
DB01004 mol2, pdbqt 134,99 -1,143 255,233 -1,8969 9 4 0 -1,0256 0,219376296693693 BBB+ HIA+ Caco2-
DB01005 mol2, pdbqt 75,35 -0,997 76,0548 -1,436 4 3 0 -0,19338 9,28729818409958E-02 BBB+ HIA+ Caco2-
DB01006 mol2, pdbqt 78,29 -6,97 285,309 2,4153 5 0 0 -1,1472 0,194481887085782 BBB+ HIA+ Caco2+
DB01007 mol2, pdbqt 55,29 -4,262 387,717 4,2335 3 0 0 5,1017 0,504518074526954 BBB+ HIA+ Caco2+
DB01008 mol2, pdbqt 103,5 -1,218 246,303 -0,0166 6 0 0 -2,5625 0,111473660149886 BBB+ HIA+ Caco2-
DB01009 mol2, pdbqt 54,37 -4,062 254,284 2,7003 3 1 0 0,41431 0,640656166013624 BBB+ HIA+ Caco2+
DB01010 mol2, pdbqt 23,47 -1,547 166,243 0,6359 2 1 0 1,6997 0,894804977043028 BBB+ HIA+ Caco2+
DB01011 mol2, pdbqt 42,85 -2,502 226,278 1,7933 3 0 0 -3,1399 0,173643757556923 BBB+ HIA+ Caco2+
DB01012 mol2, pdbqt 12,03 -5,652 357,418 5,648 1 1 1 -4,5796 0,126189416254152 BBB+ HIA+ Caco2+
DB01013 mol2, pdbqt 80,67 -4,838 466,975 3,3834 5 1 0 2,9005 0,158295278091751 BBB+ HIA+ Caco2+
Page 
 of 344
Records 841 to 860 of 6870
These data are only available for scientific research purposes.