• Drug Bank
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 of 344
Records 3461 to 3480 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
DB03911 mol2, pdbqt 99,16 0,122 150,129 -2,0188 5 4 0 -5,0602 0,29863594966451 BBB- HIA- Caco2-
DB03912 mol2, pdbqt 256,83 0,164 358,351 -3,9676 9 5 0 -35,566 0,460035682425142 BBB- HIA- Caco2-
DB03913 mol2, pdbqt 527,59 -1,607 773,596 -6,1454 23 11 3 -32,811 0,254825278166266 BBB- HIA- Caco2-
DB03914 mol2, pdbqt 249,65 -2,369 342,354 -2,8663 8 4 0 -4,0376 0,45928569473615 BBB- HIA+ Caco2-
DB03915 mol2, pdbqt 88,63 -0,328 117,104 -3,5897 4 2 0 -14,217 0,297088946923966 BBB+ HIA+ Caco2-
DB03916 mol2, pdbqt 326,38 -4,523 423,95 2,9071 7 2 0 0,4627 0,316931134462628 BBB+ HIA+ Caco2-
DB03917 mol2, pdbqt 293,56 -3,77 327,51 6,1807 2 1 1 -4,1948 9,44328350294775E-02 BBB+ HIA+ Caco2+
DB03918 mol2, pdbqt 169,65 -1,668 241,25 -2,5242 8 7 1 2,6031 0,928275369410239 BBB+ HIA+ Caco2-
DB03919 mol2, pdbqt 90,99 -1,066 103,12 0,2641 3 1 0 -3,4368 0,506261230417886 BBB+ HIA+ Caco2+
DB03920 mol2, pdbqt 84,07 -0,591 101,105 -1,6343 3 2 0 -3,3765 0,510955722864908 BBB- HIA+ Caco2-
DB03921 mol2, pdbqt 213,23 -3,656 272,31 2,3687 4 1 0 1,7378 0,777172949708549 BBB+ HIA+ Caco2-
DB03923 mol2, pdbqt 642,64 0,051 959,707 -9,1823 27 11 3 -43,142 0,250202421149022 BBB- HIA+ Caco2-
DB03924 mol2, pdbqt 184,76 -4,29 270,243 0,9874 6 4 0 -0,84726 0,250561762870191 BBB+ HIA+ Caco2-
DB03925 mol2, pdbqt 349,51 -2,718 454,529 0,3309 10 3 0 0,93632 0,665972397093804 BBB- HIA+ Caco2-
DB03926 mol2, pdbqt 216,38 -4,274 292,461 3,457 2 2 0 0,24997 0,573365132732773 BBB+ HIA+ Caco2+
DB03927 mol2, pdbqt 234,92 -1,001 303,314 -3,5777 9 5 0 -5,4001 0,476215951538556 BBB+ HIA- Caco2-
DB03928 mol2, pdbqt 191 -4,295 270,696 2,1352 5 1 0 1,826 0,733144402513191 BBB+ HIA+ Caco2-
DB03929 mol2, pdbqt 78,73 0,101 105,093 -3,9178 4 3 0 -10,074 0,496312662572931 BBB- HIA+ Caco2-
DB03930 mol2, pdbqt 99,32 -1,092 127,142 -2,6107 3 2 0 2,8467 0,957337853518651 BBB+ HIA+ Caco2-
DB03931 mol2, pdbqt 479,62 -0,772 788,408 -12,435 28 11 3 -27,923 0,255760197904329 BBB+ HIA- Caco2-
Page 
 of 344
Records 3461 to 3480 of 6870
These data are only available for scientific research purposes.