• Drug Bank
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Records 341 to 360 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
DB00469 mol2, pdbqt 136,22 -2,194 337,379 1,0729 7 2 0 5,9079 0,720840679335322 BBB- HIA+ Caco2+
DB00470 mol2, pdbqt 29,46 -4,807 314,467 6,131 2 1 1 -11,786 0,229002957544957 BBB+ HIA+ Caco2+
DB00471 mol2, pdbqt 95,72 -8,531 586,194 8,6652 4 2 2 0,16903 0,128244810761183 BBB+ HIA+ Caco2+
DB00472 mol2, pdbqt 21,26 -3,561 309,33 3,6241 2 1 0 -5,5353 0,389291483290939 BBB+ HIA+ Caco2+
DB00473 mol2, pdbqt 38,33 -3,494 261,364 2,9209 3 1 0 -5,5944 0,25158724340052 BBB+ HIA+ Caco2+
DB00474 mol2, pdbqt 66,48 -4,35 262,308 1,9052 5 1 0 -2,0775 0,157716409904356 BBB+ HIA+ Caco2+
DB00475 mol2, pdbqt 53,14 -2,188 299,76 2,947 4 1 0 -1,6058 0,512615358359928 BBB+ HIA+ Caco2+
DB00476 mol2, pdbqt 49,5 -4,399 297,421 3,8368 2 1 0 3,7303 0,687524536408553 BBB+ HIA+ Caco2+
DB00477 mol2, pdbqt 31,78 -4,801 318,871 4,6069 2 0 0 5,5785 0,35158739032912 BBB+ HIA+ Caco2+
DB00478 mol2, pdbqt 26,02 -3,086 179,306 1,9091 1 1 0 -0,02945 0,676043236822844 BBB+ HIA+ Caco2+
DB00479 mol2, pdbqt 331,94 0,233 585,605 -8,5032 18 13 3 5,3041 0,628571743226533 BBB- HIA- Caco2-
DB00480 mol2, pdbqt 92,5 -2,085 259,264 -0,7383 6 2 0 5,286 0,566824396364288 BBB+ HIA+ Caco2-
DB00481 mol2, pdbqt 98,24 -6,867 473,591 5,5983 5 2 1 3,8547 0,179979152894189 BBB+ HIA+ Caco2-
DB00482 mol2, pdbqt 86,36 -4,174 381,377 2,5888 5 1 0 -8,1085 0,367092694195189 BBB+ HIA+ Caco2+
DB00483 mol2, pdbqt 37,41 -1,844 510,824 1,2417 6 0 1 3,7938 0,421670439339615 BBB+ HIA+ Caco2+
DB00484 mol2, pdbqt 62,2 -2,979 292,139 1,1821 5 2 0 1,8366 0,834289289572878 BBB+ HIA+ Caco2+
DB00485 mol2, pdbqt 138,04 -4,787 470,332 3,3098 8 2 0 10,462 0,341139068403202 BBB- HIA+ Caco2-
DB00486 mol2, pdbqt 46,53 -5,76 372,547 6,989 3 1 1 -18,23 0,168227568608956 BBB+ HIA+ Caco2+
DB00487 mol2, pdbqt 64,09 -2,494 333,362 -0,26 6 1 0 5,7121 0,720867656584734 BBB- HIA+ Caco2+
DB00488 mol2, pdbqt 48,39 -1,91 210,284 0,7704 6 0 0 0,40939 9,92448091104575E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 341 to 360 of 6870
These data are only available for scientific research purposes.