• Drug Bank
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Records 461 to 480 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
DB00598 mol2, pdbqt 95,58 -2,932 328,411 1,7795 5 4 0 6,1932 0,523496232062105 BBB- HIA+ Caco2+
DB00599 mol2, pdbqt 90,29 -2,671 242,342 1,6573 4 2 0 3,0475 0,193986746413779 BBB+ HIA- Caco2-
DB00600 mol2, pdbqt 29,46 -2,661 200,236 2,662 2 1 0 -2,3076 0,1770063985606 BBB+ HIA+ Caco2+
DB00601 mol2, pdbqt 71,11 -2,957 337,35 0,5203 7 1 0 -2,1658 0,48473832183306 BBB+ HIA+ Caco2+
DB00602 mol2, pdbqt 170,06 -6,61 875,102 5,41 14 3 3 5,2314 0,205684601362493 BBB+ HIA+ Caco2-
DB00603 mol2, pdbqt 60,44 -4,662 386,53 3,9495 4 0 0 1,7147 0,20582939269167 BBB+ HIA+ Caco2+
DB00604 mol2, pdbqt 86,05 -4,201 465,951 3,0142 7 2 0 3,7975 0,62844134781609 BBB+ HIA+ Caco2+
DB00605 mol2, pdbqt 73,58 -3,438 356,416 3,1103 3 1 0 -0,63449 0,318607609433563 BBB+ HIA+ Caco2-
DB00606 mol2, pdbqt 135,12 -3,565 389,883 0,9443 7 3 0 7,6525 0,384766412685179 BBB- HIA+ Caco2-
DB00607 mol2, pdbqt 121,24 -3,996 414,481 3,0701 7 2 0 9,2718 0,253448498550034 BBB- HIA- Caco2-
DB00608 mol2, pdbqt 28,16 -4,059 319,878 4,0091 3 1 0 6,6327 0,253598914563229 BBB+ HIA+ Caco2+
DB00609 mol2, pdbqt 71 -1,367 166,247 1,2574 2 1 0 -2,2775 0,528449647442071 BBB+ HIA+ Caco2+
DB00610 mol2, pdbqt 66,48 -1,222 167,207 0,0381 3 3 0 0,19006 0,755478730180653 BBB- HIA+ Caco2+
DB00611 mol2, pdbqt 43,7 -3,838 327,466 3,1437 3 2 0 -0,62733 0,522620237597319 BBB+ HIA+ Caco2+
DB00612 mol2, pdbqt 59,95 -2,579 325,447 1,7248 5 2 0 -4,5181 0,26991736289517 BBB- HIA+ Caco2+
DB00613 mol2, pdbqt 48,39 -4,454 355,868 4,2018 4 2 0 4,3858 0,136939374121459 BBB+ HIA+ Caco2+
DB00614 mol2, pdbqt 100,86 -3,174 225,16 0,1235 8 0 0 0,41228 0,157512711014332 BBB+ HIA+ Caco2-
DB00615 mol2, pdbqt 205,55 -7,594 847,015 4,8971 15 5 2 4,0074 0,205244986474866 BBB- HIA+ Caco2-
DB00616 mol2, pdbqt 400,39 -4,889 515,645 3,5566 8 2 1 -9,6204 0,150613631887279 BBB+ HIA+ Caco2-
DB00617 mol2, pdbqt 46,61 -1,289 157,168 0,3578 4 0 0 -4,5775 0,29561102273773 BBB+ HIA+ Caco2+
Page 
 of 344
Records 461 to 480 of 6870
These data are only available for scientific research purposes.