• Drug Bank
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 of 344
Records 2021 to 2040 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
DB02349 mol2, pdbqt 521,33 0,314 809,55 -11,887 26 12 3 -41,359 0,255319581678155 BBB- HIA- Caco2-
DB02350 mol2, pdbqt 262,66 -2,302 374,481 1,1452 7 2 0 4,5777 0,867003925527524 BBB- HIA+ Caco2-
DB02352 mol2, pdbqt 164,06 -2,763 200,24 1,6809 3 1 0 -2,0508 0,513915265353991 BBB+ HIA+ Caco2+
DB02353 mol2, pdbqt 295,79 1,968 497,406 -7,1931 17 8 2 1,9172 0,705242400033313 BBB- HIA- Caco2-
DB02354 mol2, pdbqt 330,23 -1,718 423,522 2,3582 7 3 0 3,9122 0,805811557265063 BBB+ HIA+ Caco2+
DB02355 mol2, pdbqt 316,49 -0,431 523,248 -8,2895 17 7 3 -23,973 8,19856964915132E-02 BBB+ HIA- Caco2-
DB02356 mol2, pdbqt 204,36 0,277 281,271 -5,0202 9 4 0 -3,6279 0,494343932210388 BBB- HIA- Caco2-
DB02357 mol2, pdbqt 235,73 0,423 356,323 -4,03 11 7 2 -7,2031 0,461464664784976 BBB- HIA- Caco2-
DB02358 mol2, pdbqt 310,5 -3,691 433,38 -3,4282 14 9 2 -7,8983 0,377643208159783 BBB- HIA- Caco2-
DB02359 mol2, pdbqt 273,44 -3,508 341,414 2,516 7 1 0 0,48917 0,66138687690828 BBB+ HIA+ Caco2+
DB02360 mol2, pdbqt 268,94 -5,483 376,347 1,9229 4 2 0 -10,714 0,183938911204088 BBB+ HIA+ Caco2-
DB02361 mol2, pdbqt 119,62 -1,478 167,252 -2,0765 3 2 0 -6,6105 0,488814268220819 BBB+ HIA+ Caco2-
DB02362 mol2, pdbqt 105,88 -1,705 137,138 0,4674 3 2 0 -1,5411 0,123326907715982 BBB+ HIA+ Caco2+
DB02363 mol2, pdbqt 301,53 1,911 507,181 -10,855 18 7 3 -29,124 0,369433529711345 BBB+ HIA- Caco2-
DB02364 mol2, pdbqt 178,19 -0,029 241,179 -3,4696 7 2 0 -25,61 0,487547049713355 BBB- HIA+ Caco2-
DB02365 mol2, pdbqt 139,98 -3,028 180,21 2,2916 2 0 0 -1,8447 0,184110046192149 BBB+ HIA+ Caco2-
DB02366 mol2, pdbqt 266,31 -5,767 362,819 3,51 5 4 0 0,2075 0,426462837893766 BBB+ HIA+ Caco2-
DB02367 mol2, pdbqt 302,56 -2,774 435,521 0,3418 10 3 0 2,1608 0,453706468143539 BBB- HIA+ Caco2-
DB02368 mol2, pdbqt 170,58 -1,174 217,224 -1,4861 7 4 0 -14,697 0,486257310468975 BBB+ HIA- Caco2-
DB02369 mol2, pdbqt 230,52 2,05 315,198 -7,317 8 1 0 -23,667 0,475248165235822 BBB+ HIA- Caco2-
Page 
 of 344
Records 2021 to 2040 of 6870
These data are only available for scientific research purposes.