• Drug Bank
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Records 1681 to 1700 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
DB01982 mol2, pdbqt 122 0,269 194,138 -2,9704 7 5 0 -1,2853 0,59912857803436 BBB+ HIA- Caco2-
DB01983 mol2, pdbqt 146,21 0,567 191,998 -1,6568 6 5 0 -28,904 0,236490272853761 BBB+ HIA- Caco2-
DB01984 mol2, pdbqt 602,35 -5,748 771,91 1,7966 17 9 3 -6,5173 0,168150929967959 BBB- HIA- Caco2-
DB01985 mol2, pdbqt 173,14 -0,354 216,24 -1,3027 7 5 0 -12,304 0,489181773362829 BBB+ HIA+ Caco2-
DB01986 mol2, pdbqt 100,39 -2,35 125,146 1,427 1 1 0 -3,34 0,294305446150392 BBB+ HIA+ Caco2+
DB01987 mol2, pdbqt 288,8 1,895 425,318 -5,1171 11 4 1 -25,443 0,256389750719558 BBB+ HIA- Caco2-
DB01988 mol2, pdbqt 359,22 -7,05 457,579 5,0762 5 1 1 4,1143 0,332350428509836 BBB+ HIA+ Caco2-
DB01989 mol2, pdbqt 545,48 -4,725 743,816 -1,1743 15 5 2 -13,657 0,205803302278083 BBB- HIA- Caco2-
DB01990 mol2, pdbqt 350,12 -5,093 466,724 5,5677 4 1 1 -2,3128 0,219011757716 BBB+ HIA+ Caco2-
DB01991 mol2, pdbqt 354,78 -4,264 431,568 4,588 8 4 0 -24,469 0,170576869916474 BBB+ HIA+ Caco2-
DB01993 mol2, pdbqt 224,94 0,774 320,237 -5,6756 9 5 0 -15,046 0,473344288094871 BBB- HIA- Caco2-
DB01994 mol2, pdbqt 174,72 -4,512 229,242 0,2392 6 2 0 1,6658 0,437048783949915 BBB+ HIA+ Caco2-
DB01995 mol2, pdbqt 216,33 1,621 337,224 -5,316 11 6 2 -19,765 0,468632149790308 BBB+ HIA- Caco2-
DB01996 mol2, pdbqt 84,28 -1,165 93,1286 1,0026 1 0 0 -1,995 0,196879153370509 BBB+ HIA+ Caco2+
DB01997 mol2, pdbqt 138,49 -2,747 242,032 0,7711 5 1 0 -8,2592 0,462694272155964 BBB+ HIA+ Caco2+
DB01998 mol2, pdbqt 326,31 -1,586 454,511 -1,0701 11 8 2 -23,482 0,240795983873118 BBB- HIA- Caco2-
DB01999 mol2, pdbqt 610,19 -5,669 940,042 -13,401 16 11 3 1,3617 0,302070816608197 BBB+ HIA- Caco2-
DB02001 mol2, pdbqt 261,51 -4,95 353,449 2,2697 6 2 0 1,404 0,612267667435811 BBB+ HIA+ Caco2-
DB02002 mol2, pdbqt 71,04 -0,751 86,0936 -0,9925 3 2 0 -6,1169 0,495234684076725 BBB+ HIA+ Caco2+
DB02004 mol2, pdbqt 296,46 -6,604 405,284 3,2406 6 2 0 -1,641 0,276140019473025 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1681 to 1700 of 6870
These data are only available for scientific research purposes.