• Drug Bank
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Records 2241 to 2260 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
DB02588 mol2, pdbqt 290,32 -1,268 406,346 -1,2254 11 4 1 -3,3317 0,215069078374778 BBB- HIA- Caco2-
DB02589 mol2, pdbqt 68,35 -0,45 151,071 -0,2937 2 2 0 -5,1151 0,495370716996145 BBB+ HIA+ Caco2-
DB02590 mol2, pdbqt 105,07 -0,655 148,157 -0,842 4 3 0 1,2336 0,873905146017133 BBB- HIA+ Caco2-
DB02591 mol2, pdbqt 120,71 -2,515 146,192 1,947 2 1 0 -0,078187 0,690804600192349 BBB+ HIA+ Caco2-
DB02592 mol2, pdbqt 168,81 0,458 270,173 -5,0689 8 6 1 -11,761 0,484053991334083 BBB+ HIA- Caco2-
DB02593 mol2, pdbqt 217,01 -2,516 322,268 0,941 8 3 0 -1,0292 0,570252934366621 BBB- HIA- Caco2-
DB02594 mol2, pdbqt 160,26 -1,13 227,219 -2,1825 7 3 0 -3,0255 0,508157270183597 BBB+ HIA+ Caco2-
DB02595 mol2, pdbqt 360,66 1,348 552,553 -9,103 17 9 3 -4,8 0,339294301131389 BBB- HIA- Caco2-
DB02596 mol2, pdbqt 305,29 -0,758 505,209 -9,2433 17 7 3 -28,481 0,368464260485922 BBB+ HIA- Caco2-
DB02597 mol2, pdbqt 302,46 -3,817 380,507 2,1856 6 3 0 -12,946 0,387614106934624 BBB+ HIA+ Caco2-
DB02598 mol2, pdbqt 266,97 -3,242 532,063 0,198 7 4 1 -4,5702 0,327417765559319 BBB- HIA- Caco2-
DB02599 mol2, pdbqt 200,01 -3,968 264,352 0,8642 5 3 0 1,3685 0,752779332389998 BBB+ HIA+ Caco2-
DB02600 mol2, pdbqt 224,71 -2,084 284,355 -1,455 6 3 0 -0,20152 0,681045962865024 BBB- HIA+ Caco2-
DB02601 mol2, pdbqt 124,73 -0,826 167,163 -2,3976 4 3 0 -6,9543 0,492040242607638 BBB- HIA+ Caco2-
DB02602 mol2, pdbqt 241,22 -3,259 374,461 1,4355 7 1 0 3,7133 0,819978437867469 BBB+ HIA+ Caco2-
DB02603 mol2, pdbqt 195,03 -3,802 246,313 1,9642 5 2 0 -4,7502 0,425712799085806 BBB+ HIA+ Caco2-
DB02604 mol2, pdbqt 153,04 1,432 244,135 -5,0125 8 5 0 -18,092 0,488509871207272 BBB+ HIA- Caco2-
DB02606 mol2, pdbqt 70,63 -1,125 74,1224 0,8642 1 1 0 -3,2308 0,508164252664779 BBB+ HIA+ Caco2+
DB02607 mol2, pdbqt 252,8 -1,58 389,26 -5,281 13 5 1 -14,144 0,440566438856487 BBB+ HIA- Caco2-
DB02608 mol2, pdbqt 189,97 -1,733 254,241 -0,8836 7 3 0 -4,2278 0,29088561032483 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2241 to 2260 of 6870
These data are only available for scientific research purposes.