• Drug Bank
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 of 344
Records 4721 to 4740 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
DB07041 mol2, pdbqt 328,6 -7,529 428,495 3,6206 8 3 0 0,622 0,339246330972715 BBB+ HIA+ Caco2-
DB07042 mol2, pdbqt 273,19 -4,156 354,417 0,9889 9 4 0 -0,82499 0,508574632533442 BBB+ HIA+ Caco2-
DB07043 mol2, pdbqt 305,54 -4,539 407,481 1,3594 10 2 0 1,4365 0,630635866022365 BBB+ HIA+ Caco2-
DB07044 mol2, pdbqt 255,58 -5,631 492,948 4,6858 5 3 0 2,6304 0,234384034983422 BBB+ HIA+ Caco2+
DB07045 mol2, pdbqt 296,99 -5,451 441,274 0,907 10 5 0 0,13251 0,440709778713189 BBB+ HIA+ Caco2-
DB07046 mol2, pdbqt 290,81 -5,53 498,646 2,5209 6 4 0 -0,12458 0,218310931083205 BBB+ HIA+ Caco2-
DB07047 mol2, pdbqt 194,31 -4,891 283,11 3,6702 3 2 0 -1,6821 0,137463909186354 BBB+ HIA+ Caco2+
DB07048 mol2, pdbqt 258,15 -3,722 338,47 2,887 5 2 0 2,9911 0,616863929279382 BBB+ HIA+ Caco2-
DB07049 mol2, pdbqt 305,6 -4,167 417,528 3,292 7 0 0 -9,3044 0,33866186647465 BBB+ HIA+ Caco2-
DB07050 mol2, pdbqt 203,62 -2,627 320,374 0,0604 8 2 0 -2,8395 0,229056289183975 BBB+ HIA+ Caco2-
DB07051 mol2, pdbqt 202,29 -2,528 245,301 1,9435 4 1 0 -0,034147 0,684859471938645 BBB+ HIA+ Caco2+
DB07052 mol2, pdbqt 218,33 -3,439 311,365 -0,1667 8 3 0 0,0014396 0,650987756176151 BBB+ HIA+ Caco2-
DB07053 mol2, pdbqt 348,25 -4,995 476,45 4,4643 7 1 0 -14,889 0,240263265007546 BBB+ HIA+ Caco2-
DB07054 mol2, pdbqt 340,22 -5,222 465,45 3,8715 7 3 0 -3,274 0,263241539884892 BBB+ HIA+ Caco2+
DB07055 mol2, pdbqt 178,69 -1,481 243,225 0,3547 7 1 0 2,7873 0,93156917698747 BBB+ HIA+ Caco2-
DB07056 mol2, pdbqt 293,35 -3,991 395,91 2,8291 6 1 0 4,7829 0,436452547911781 BBB+ HIA+ Caco2-
DB07057 mol2, pdbqt 158,28 -1,659 221,211 0,2317 5 2 0 2,686 0,745128821581578 BBB+ HIA+ Caco2-
DB07058 mol2, pdbqt 241,48 -6,51 324,363 2,5195 6 1 0 2,2393 0,511065451996151 BBB+ HIA+ Caco2+
DB07059 mol2, pdbqt 302,07 -4,909 398,465 1,2687 9 3 0 3,7306 0,189732362339053 BBB+ HIA+ Caco2-
DB07060 mol2, pdbqt 154,14 -1,99 205,212 0,6148 4 3 0 0,25489 0,747910908416691 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4721 to 4740 of 6870
These data are only available for scientific research purposes.