• Drug Bank
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Records 3981 to 4000 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
DB04474 mol2, pdbqt 214,01 -3,406 299,349 2,1551 4 2 0 -5,185 0,154516244368755 BBB+ HIA+ Caco2-
DB04476 mol2, pdbqt 112,23 -1,113 153,137 0,0555 4 3 0 -0,64565 0,65779958112432 BBB+ HIA+ Caco2-
DB04477 mol2, pdbqt 411,4 -5,836 560,609 2,5178 12 4 2 -0,91563 0,266829350045398 BBB- HIA+ Caco2-
DB04478 mol2, pdbqt 216,43 0,355 301,37 -1,0053 8 1 0 4,53 0,949266124052385 BBB+ HIA+ Caco2-
DB04479 mol2, pdbqt 127,68 -3,214 175,143 0,8382 4 0 0 -5,0476 0,458883604939588 BBB+ HIA+ Caco2+
DB04480 mol2, pdbqt 225,89 -4,174 293,344 3,9873 3 0 0 2,0645 0,666648148821505 BBB+ HIA+ Caco2+
DB04481 mol2, pdbqt 91,42 0,288 122,119 -2,011 4 4 0 -1,1346 0,616524381694659 BBB- HIA+ Caco2-
DB04482 mol2, pdbqt 343,05 0,73 543,373 -7,89 18 9 3 -38,517 0,342629440452559 BBB+ HIA- Caco2-
DB04483 mol2, pdbqt 118,01 -0,331 182,146 -1,9197 5 4 0 -2,6788 0,523672064987563 BBB+ HIA- Caco2-
DB04484 mol2, pdbqt 128,15 -1,559 151,208 0,5272 2 2 0 -7,5836 0,291625148015584 BBB+ HIA+ Caco2+
DB04485 mol2, pdbqt 168,45 -1,114 242,23 -1,2509 7 3 0 3,4779 0,953047652646727 BBB+ HIA+ Caco2-
DB04486 mol2, pdbqt 149,7 -1,325 174,243 -3,7704 4 3 0 -24,573 0,488926036809174 BBB+ HIA+ Caco2-
DB04487 mol2, pdbqt 124,6 -1,022 145,201 -1,1768 3 2 0 -2,9568 0,515722732288104 BBB+ HIA+ Caco2-
DB04488 mol2, pdbqt 347,41 -1,254 487,508 -5,7627 13 4 1 -2,8436 0,400814760911835 BBB- HIA- Caco2-
DB04489 mol2, pdbqt 173,26 -0,217 235,263 -1,4238 7 5 0 3,6554 0,962832418648088 BBB+ HIA+ Caco2-
DB04490 mol2, pdbqt 101,64 -2,195 125,195 0,8963 1 0 0 -5,945 0,480390081695057 BBB+ HIA+ Caco2+
DB04491 mol2, pdbqt 129,03 -1,108 166,156 0,4548 3 0 0 -18,248 0,292799330754762 BBB+ HIA+ Caco2-
DB04492 mol2, pdbqt 191,82 1,059 301,271 -4,0525 10 5 0 0,35666 0,759695624525644 BBB- HIA- Caco2-
DB04493 mol2, pdbqt 168,14 2,075 260,134 -6,4208 9 6 1 -20,32 0,291890165152929 BBB+ HIA- Caco2-
DB04494 mol2, pdbqt 39,24 2,01 145,953 0,3317 3 2 0 -2,5375 0,530139289843507 BBB+ HIA- Caco2-
Page 
 of 344
Records 3981 to 4000 of 6870
These data are only available for scientific research purposes.