• Drug Bank
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Records 4321 to 4340 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
DB04878 mol2, pdbqt 153,64 0,587 267,277 -3,9713 8 8 1 -2,624 0,517398654315015 BBB- HIA+ Caco2-
DB04880 mol2, pdbqt 83,5 -4,128 248,305 1,5599 4 2 0 2,9807 0,80001607850782 BBB+ HIA+ Caco2-
DB04890 mol2, pdbqt 62,66 -3,355 388,894 2,4785 5 1 0 4,844 0,789529046577607 BBB- HIA+ Caco2-
DB04894 mol2, pdbqt 426,66 -8,002 1131,39 2,2931 21 14 3 -1,9914 0,142126480648548 BBB- HIA+ Caco2-
DB04896 mol2, pdbqt 46,33 -2,296 246,353 1,2437 3 1 0 4,8248 0,932065955776879 BBB+ HIA+ Caco2+
DB04898 mol2, pdbqt 146,35 -3,529 473,572 1,1936 10 4 0 -3,3946 0,365396834748816 BBB- HIA+ Caco2-
DB04908 mol2, pdbqt 38,82 -4,149 390,408 3,0313 5 1 0 -0,81551 0,466378828806606 BBB+ HIA+ Caco2-
DB04911 mol2, pdbqt 560,98 -14,274 1793,12 -4,2651 36 20 3 2,8151 0,242947133378347 BBB- HIA- Caco2-
DB04920 mol2, pdbqt 90,93 -5,516 456,321 4,5801 7 1 0 -0,061381 0,332789978793054 BBB- HIA+ Caco2+
DB04930 mol2, pdbqt 35,53 -6,469 391,293 5,8089 3 0 1 0,92471 3,85621891348021E-02 BBB+ HIA+ Caco2+
DB04931 mol2, pdbqt 642,98 -6,044 1646,87 -6,4952 40 23 3 0,17842 0,243328879196686 BBB- HIA+ Caco2-
DB04938 mol2, pdbqt 29,46 -5,168 378,898 4,729 2 1 0 -3,4009 7,68796545277825E-02 BBB+ HIA+ Caco2+
DB04942 mol2, pdbqt 66,4 -5,547 351,445 4,351 4 2 0 -2,8142 0,277494129932686 BBB+ HIA+ Caco2+
DB04946 mol2, pdbqt 64,8 -5,154 426,486 4,3044 6 0 0 5,3259 0,518766934399647 BBB+ HIA+ Caco2+
DB04948 mol2, pdbqt 33,62 -3,453 259,135 2,202 3 1 0 3,7659 0,682374724149177 BBB+ HIA+ Caco2+
DB04953 mol2, pdbqt 76,38 -4,346 303,336 2,4614 5 3 0 -11,554 0,110041020464148 BBB+ HIA+ Caco2-
DB04967 mol2, pdbqt 57,64 -4,843 340,49 4,2624 3 1 0 6,6846 0,185322436485195 BBB+ HIA+ Caco2+
DB05013 mol2, pdbqt 104,06 -3,227 430,539 2,661 6 3 0 -2,5836 0,144930754956758 BBB+ HIA+ Caco2-
DB05015 mol2, pdbqt 103,88 -3,607 318,352 1,2586 6 3 0 -3,1372 0,440019797156638 BBB+ HIA+ Caco2-
DB05016 mol2, pdbqt 76,22 -5,707 284,245 2,8181 5 1 0 -0,19654 0,442099169006806 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4321 to 4340 of 6870
These data are only available for scientific research purposes.