• Drug Bank
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Records 2761 to 2780 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
DB03152 mol2, pdbqt 230,24 -1,797 292,37 0,9398 6 4 0 -22,79 0,467500278316439 BBB- HIA- Caco2-
DB03153 mol2, pdbqt 100,41 -1,783 136,114 -0,8514 5 1 0 -5,2103 0,234834067341462 BBB+ HIA+ Caco2+
DB03154 mol2, pdbqt 227,02 -4,668 388,145 -2,0054 6 4 0 -17,462 0,354432790853686 BBB+ HIA+ Caco2-
DB03155 mol2, pdbqt 203,3 0,343 326,172 -5,1795 10 4 0 -19,683 0,471249262901348 BBB+ HIA- Caco2-
DB03156 mol2, pdbqt 122 0,269 194,138 -2,9704 7 5 0 -1,2853 0,59912857803436 BBB+ HIA- Caco2-
DB03157 mol2, pdbqt 460,6 -6,515 647,771 4,7767 10 2 1 -4,9817 4,76257669511425E-02 BBB+ HIA+ Caco2-
DB03158 mol2, pdbqt 193,34 3,404 340,113 -9,5482 12 8 2 -21,132 0,467944275290321 BBB+ HIA- Caco2-
DB03159 mol2, pdbqt 252,98 -4,978 327,386 1,873 4 3 0 0,69 0,5795096048582 BBB+ HIA+ Caco2-
DB03160 mol2, pdbqt 311,49 -0,498 418,381 -4,0022 10 5 0 -25,855 0,429355123465641 BBB- HIA- Caco2-
DB03161 mol2, pdbqt 331,76 1,222 534,303 -7,2693 17 7 3 -31,88 0,349282804289067 BBB- HIA- Caco2-
DB03162 mol2, pdbqt 97,17 2,882 146,126 0,2816 5 2 0 0,38233 0,630352395518746 BBB+ HIA+ Caco2-
DB03163 mol2, pdbqt 137,21 -0,737 198,262 -1,2755 4 1 0 -10,861 0,48960767667199 BBB+ HIA+ Caco2-
DB03164 mol2, pdbqt 120,9 -2,612 150,165 -1,0555 5 2 0 1,7834 0,881424426962221 BBB+ HIA+ Caco2+
DB03165 mol2, pdbqt 162,43 3,056 249,095 -7,4713 8 3 0 -24,744 0,488187236289727 BBB+ HIA- Caco2-
DB03166 mol2, pdbqt 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514 BBB+ HIA+ Caco2+
DB03167 mol2, pdbqt 172,76 -5,49 488,593 4,9399 1 1 0 -4,0621 5,87079499983576E-02 BBB+ HIA+ Caco2+
DB03168 mol2, pdbqt 497,64 -1,536 760,565 -6,0354 22 9 3 -37,526 0,256548257765571 BBB+ HIA- Caco2-
DB03169 mol2, pdbqt 607,06 0,894 908,64 -14,448 27 8 3 -28,302 0,251495072188885 BBB- HIA- Caco2-
DB03170 mol2, pdbqt 461,92 -1,463 687,559 -6,5398 20 8 3 -47,851 0,269949266733982 BBB- HIA+ Caco2-
DB03171 mol2, pdbqt 185,18 -0,827 255,209 -1,2576 5 3 0 -21,094 0,483257165017273 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2761 to 2780 of 6870
These data are only available for scientific research purposes.