• Drug Bank
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Records 3161 to 3180 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
DB03583 mol2, pdbqt 297,9 -3,182 441,507 0,7395 8 4 0 7,5811 0,770443598784875 BBB- HIA+ Caco2-
DB03584 mol2, pdbqt 127,52 -0,731 196,222 -1,7802 5 4 0 -5,8169 0,491407254564875 BBB+ HIA- Caco2-
DB03586 mol2, pdbqt 105,43 -0,274 167,112 -3,7442 5 3 0 -1,6055 0,575745195036388 BBB+ HIA- Caco2-
DB03587 mol2, pdbqt 63,05 -0,614 72,0628 -0,7604 2 0 0 -5,6342 0,107234388489754 BBB+ HIA+ Caco2+
DB03588 mol2, pdbqt 169,62 -2,743 212,247 2,6704 2 1 0 -1,0878 0,561168849314029 BBB+ HIA+ Caco2+
DB03589 mol2, pdbqt 79,45 0,144 118,044 -2,174 5 2 0 -12,05 0,495841227341452 BBB+ HIA+ Caco2-
DB03590 mol2, pdbqt 145,02 -0,638 190,198 -5,5962 6 4 0 -17,954 0,490954248264613 BBB+ HIA- Caco2-
DB03591 mol2, pdbqt 445,37 -6,43 613,596 1,8094 9 4 1 -12,196 0,175974329487849 BBB+ HIA- Caco2-
DB03592 mol2, pdbqt 178,21 0,415 273,145 -5,1128 10 4 0 -17,478 0,483498812798193 BBB+ HIA+ Caco2-
DB03593 mol2, pdbqt 243,15 0,75 378,257 -5,3362 13 7 2 -17,94 0,452192379505643 BBB+ HIA- Caco2-
DB03594 mol2, pdbqt 60,35 -0,566 69,0668 -0,5705 3 1 0 1,7653 0,550293717077092 BBB+ HIA+ Caco2+
DB03595 mol2, pdbqt 234,53 -3,968 336,272 1,7563 6 3 0 0,1025 0,610196115039919 BBB+ HIA+ Caco2-
DB03596 mol2, pdbqt 275,78 -4,118 371,46 2,6319 6 3 0 4,41 0,740619833239991 BBB+ HIA+ Caco2-
DB03597 mol2, pdbqt 326,19 -3,433 523,343 -2,416 9 5 1 -12,13 0,326640486326859 BBB+ HIA- Caco2-
DB03598 mol2, pdbqt 314,01 -3,292 471,578 1,2112 9 1 0 4,191 0,717969872291684 BBB+ HIA+ Caco2-
DB03600 mol2, pdbqt 159,94 -2,619 172,267 3,3361 2 1 0 -25,216 0,157133853111373 BBB+ HIA+ Caco2+
DB03601 mol2, pdbqt 186,23 -2,936 256,256 2,5014 4 2 0 -0,22006 0,639299708749206 BBB+ HIA+ Caco2+
DB03602 mol2, pdbqt 299,91 -2,417 397,451 -2,8531 9 5 0 -12,612 0,427823545931531 BBB+ HIA- Caco2-
DB03603 mol2, pdbqt 137,1 0,582 210,137 -3,845 8 6 1 1,591 0,899921841264836 BBB+ HIA- Caco2-
DB03605 mol2, pdbqt 345,25 -6,12 496,311 5,7745 4 1 1 -5,925 0,155215080356433 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3161 to 3180 of 6870
These data are only available for scientific research purposes.