• Drug Bank
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 of 344
Records 3301 to 3320 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
DB03738 mol2, pdbqt 215,91 -1,942 276,356 -0,6641 6 4 0 -7,204 0,472688515020287 BBB- HIA+ Caco2-
DB03739 mol2, pdbqt 135,4 -0,564 205,165 -1,5696 7 5 0 0,65757 0,812288407447171 BBB- HIA+ Caco2-
DB03740 mol2, pdbqt 153,24 -0,087 221,208 -2,4377 7 5 0 -0,29884 0,698023555346188 BBB- HIA- Caco2-
DB03741 mol2, pdbqt 88,38 -1,159 102,132 0,828 2 1 0 1,1489 0,860183925702597 BBB+ HIA+ Caco2+
DB03742 mol2, pdbqt 347,59 -4,585 463,596 5,2321 5 2 1 3,6722 0,458587408373021 BBB+ HIA+ Caco2-
DB03744 mol2, pdbqt 306,75 -3,875 425,871 2,3912 7 3 0 6,6877 0,723542788491403 BBB- HIA+ Caco2-
DB03745 mol2, pdbqt 150,39 1,997 232,124 -5,8222 8 6 1 -22,318 0,490115264829366 BBB+ HIA- Caco2-
DB03746 mol2, pdbqt 121,29 -0,4 173,167 -3,7404 5 4 0 -0,072699 0,730014090979298 BBB- HIA+ Caco2-
DB03747 mol2, pdbqt 144,53 -0,239 219,26 -1,2211 5 3 0 1,8979 0,914462832806986 BBB- HIA- Caco2-
DB03748 mol2, pdbqt 344,65 -5,746 441,013 6,3038 4 0 1 -0,24038 0,241088999999754 BBB+ HIA+ Caco2+
DB03749 mol2, pdbqt 208,16 -2,471 270,291 1,2819 6 4 0 2,4611 0,886946132181357 BBB+ HIA+ Caco2-
DB03750 mol2, pdbqt 88,38 -1,159 102,132 0,828 2 1 0 -3,3127 0,303667625668564 BBB+ HIA+ Caco2+
DB03751 mol2, pdbqt 350,5 1,415 564,328 -7,7777 18 8 3 -29,937 0,328745819707564 BBB- HIA- Caco2-
DB03752 mol2, pdbqt 221,85 -5,105 386,204 3,2087 3 1 0 3,03 0,384320816162583 BBB+ HIA+ Caco2+
DB03753 mol2, pdbqt 204,14 -4,49 258,291 3,7582 2 0 0 -5,7739 0,352369471194682 BBB+ HIA+ Caco2+
DB03754 mol2, pdbqt 86,71 0,481 121,135 -2,3875 4 4 0 -6,3536 0,49705350870852 BBB- HIA+ Caco2-
DB03755 mol2, pdbqt 345,41 0,318 585,188 -11,701 20 8 3 -38,381 0,315375863593825 BBB+ HIA- Caco2-
DB03757 mol2, pdbqt 205,51 -1,159 259,305 -0,1173 7 4 0 -11,551 0,480270130589943 BBB+ HIA+ Caco2-
DB03758 mol2, pdbqt 267,81 -3,667 364,78 2,7383 6 2 0 0,50998 0,381704045014701 BBB+ HIA+ Caco2+
DB03759 mol2, pdbqt 165,52 -2,766 252,142 -2,4378 10 2 0 -5,1802 0,466713251959472 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3301 to 3320 of 6870
These data are only available for scientific research purposes.