• Drug Bank
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Records 3241 to 3260 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
DB03670 mol2, pdbqt 185,85 -1,831 270,264 -2,9693 7 4 0 0,80228 0,803317959560544 BBB- HIA- Caco2-
DB03671 mol2, pdbqt 272,1 -3,869 390,518 2,0703 5 3 0 -0,3322 0,542346488242974 BBB+ HIA+ Caco2-
DB03672 mol2, pdbqt 233,14 -4,821 288,393 4,2515 2 1 0 -5,5488 0,188103473857451 BBB+ HIA+ Caco2-
DB03673 mol2, pdbqt 128,08 -1,551 171,219 -1,6826 3 2 0 -8,3 0,389956184407023 BBB+ HIA+ Caco2+
DB03675 mol2, pdbqt 111,49 -0,58 148,157 -0,5989 4 3 0 3,7774 0,77922545160335 BBB+ HIA+ Caco2-
DB03676 mol2, pdbqt 134,18 -0,996 241,142 -1,2683 4 2 0 -6,5171 0,111781141178343 BBB+ HIA+ Caco2-
DB03677 mol2, pdbqt 258,07 -4,664 282,47 4,9808 3 2 0 -15,91 0,287607417202159 BBB+ HIA+ Caco2+
DB03678 mol2, pdbqt 286,32 -6,288 375,421 5,3484 3 1 1 0,27688 0,306291606864432 BBB+ HIA+ Caco2+
DB03679 mol2, pdbqt 162,66 -2,295 220,227 -1,5041 5 4 0 -9,6644 0,475853793795511 BBB+ HIA+ Caco2-
DB03680 mol2, pdbqt 80,55 0,195 120,06 -2,1428 5 3 0 -2,5311 0,425911486720966 BBB+ HIA- Caco2-
DB03682 mol2, pdbqt 180,35 -4,302 256,213 2,3983 5 2 0 -1,7612 0,35986051177605 BBB+ HIA+ Caco2-
DB03683 mol2, pdbqt 150,83 -1,303 189,21 -0,2175 5 2 0 -0,47716 0,673268902560322 BBB+ HIA+ Caco2-
DB03685 mol2, pdbqt 203,19 0,989 324,181 -5,787 11 5 1 -24,359 0,472367623462077 BBB+ HIA- Caco2-
DB03686 mol2, pdbqt 323,58 -2,877 442,448 -3,7747 12 5 1 -17,562 0,394236512971003 BBB+ HIA- Caco2-
DB03687 mol2, pdbqt 331,37 2,622 521,308 -8,0488 17 9 3 -33,155 0,359017271556975 BBB+ HIA- Caco2-
DB03688 mol2, pdbqt 71,47 -0,222 90,0776 -0,7714 3 2 0 -3,5713 0,508885890016539 BBB+ HIA+ Caco2-
DB03690 mol2, pdbqt 703,29 -6,978 787,132 10,47 9 1 2 -59,809 7,25648128616718E-02 BBB+ HIA- Caco2-
DB03691 mol2, pdbqt 292,95 -2,617 364,44 1,138 7 4 0 4,6271 0,865824182253161 BBB- HIA+ Caco2-
DB03692 mol2, pdbqt 329,62 -4,265 393,587 2,9162 6 2 0 -27,496 0,211580628482362 BBB+ HIA+ Caco2-
DB03693 mol2, pdbqt 198,12 -2,585 285,754 0,6663 5 2 0 -0,89065 0,593161139073776 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3241 to 3260 of 6870
These data are only available for scientific research purposes.