• Drug Bank
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 of 344
Records 1361 to 1380 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
DB01632 mol2, pdbqt 219,52 4,358 390,066 -11,056 14 7 2 -32,406 0,447243156937327 BBB+ HIA- Caco2-
DB01633 mol2, pdbqt 321,63 0,269 506,427 -5,5939 15 10 3 -12,789 0,369230431762365 BBB+ HIA- Caco2-
DB01634 mol2, pdbqt 226,34 -1,899 304,305 -2,1591 8 5 0 -7,9094 0,37431468367503 BBB- HIA+ Caco2-
DB01635 mol2, pdbqt 114,24 -2,005 161,224 -1,6526 3 2 0 1,5317 0,881348958510911 BBB+ HIA+ Caco2-
DB01636 mol2, pdbqt 405,56 -11,09 618,469 3,9219 9 2 1 -6,7084 7,84821187455633E-02 BBB+ HIA+ Caco2-
DB01637 mol2, pdbqt 282,51 -4,897 298,552 7,2853 1 1 1 -8,1835 9,59315000338683E-02 BBB+ HIA+ Caco2+
DB01638 mol2, pdbqt 121,38 0,546 182,171 -3,1458 6 6 1 -0,1995 0,715820673193342 BBB- HIA+ Caco2-
DB01639 mol2, pdbqt 185,31 0,816 262,177 -3,0641 7 3 0 -22,122 0,485580863357128 BBB+ HIA- Caco2-
DB01640 mol2, pdbqt 330,28 -6,92 513,374 5,7589 5 2 2 -0,4257 0,189368130352299 BBB+ HIA+ Caco2-
DB01641 mol2, pdbqt 258,17 -2,445 357,369 -3,5436 9 5 0 -4,0376 0,271672270424532 BBB- HIA+ Caco2-
DB01642 mol2, pdbqt 133,92 0,123 194,182 -2,1929 6 4 0 -7,2849 0,492478021989471 BBB- HIA- Caco2-
DB01643 mol2, pdbqt 208,57 0,466 322,209 -4,4947 10 4 0 -16,161 0,472514426689525 BBB+ HIA- Caco2-
DB01644 mol2, pdbqt 206,34 -3,902 286,282 2,4598 5 3 0 -2,0115 0,454385426367624 BBB+ HIA+ Caco2+
DB01646 mol2, pdbqt 148,84 -1,249 191,25 -0,2525 4 2 0 -13,609 0,487056964068588 BBB+ HIA+ Caco2-
DB01647 mol2, pdbqt 207,44 -3,026 265,308 2,2235 5 1 0 -15,122 0,442888301396948 BBB+ HIA+ Caco2+
DB01648 mol2, pdbqt 143,43 -0,859 210,249 -1,3523 5 3 0 -9,3698 0,488267409337581 BBB- HIA- Caco2-
DB01649 mol2, pdbqt 487,97 -0,697 787,444 -11,006 27 10 3 -26,696 0,255977427009347 BBB+ HIA- Caco2-
DB01650 mol2, pdbqt 130,21 -1,703 164,16 1,1282 3 2 0 0,1675 0,742873514593032 BBB+ HIA+ Caco2+
DB01651 mol2, pdbqt 174,49 -0,322 264,229 -2,2123 8 3 0 -5,8112 0,485085638046372 BBB- HIA- Caco2-
DB01652 mol2, pdbqt 587,53 -1,114 887,645 -9,0396 25 10 3 -43,717 0,249825511532378 BBB- HIA+ Caco2-
Page 
 of 344
Records 1361 to 1380 of 6870
These data are only available for scientific research purposes.