• Drug Bank
Page 
 of 344
Records 4281 to 4300 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB04791 mol2, pdbqt 281,2 -1,868 382,419 -0,3566 8 4 0 -0,42041 0,615145284577161 BBB+ HIA+ Caco2-
DB04792 mol2, pdbqt 281,2 -1,868 382,419 -0,3566 8 4 0 -0,42041 0,615145284577161 BBB+ HIA+ Caco2-
DB04793 mol2, pdbqt 281,2 -1,868 382,419 -0,3566 8 4 0 -0,42041 0,615145284577161 BBB+ HIA+ Caco2-
DB04794 mol2, pdbqt 17,82 -6,844 310,399 4,7577 2 0 0 2,0429 0,398430038727504 BBB+ HIA+ Caco2+
DB04795 mol2, pdbqt 147,92 -3,242 222,186 1,7375 2 0 0 -42,376 0,446869747491038 BBB+ HIA+ Caco2+
DB04796 mol2, pdbqt 327,47 -6,729 400,601 5,3537 3 3 1 -6,6951 0,179747780080481 BBB+ HIA+ Caco2+
DB04797 mol2, pdbqt 247,37 -6,506 322,342 3,4619 5 0 0 0,82839 0,432472622589468 BBB+ HIA+ Caco2+
DB04798 mol2, pdbqt 166,29 -1,28 244,314 -2,6306 5 2 0 -12,55 0,482991597580026 BBB+ HIA+ Caco2-
DB04799 mol2, pdbqt 269,09 -4,724 335,467 4,8373 4 1 0 -14,454 0,170190214826107 BBB+ HIA+ Caco2-
DB04800 mol2, pdbqt 179,63 -2,273 253,281 -0,718 6 2 0 4,0343 0,935682398819677 BBB+ HIA+ Caco2-
DB04801 mol2, pdbqt 269 -4,551 282,466 6,7191 2 1 1 -26,101 0,223956097391654 BBB+ HIA+ Caco2+
DB04802 mol2, pdbqt 91,9 -0,353 118,135 -5,6831 4 3 0 -11,853 0,495103336307678 BBB- HIA+ Caco2-
DB04803 mol2, pdbqt 365,44 -12,793 547,414 5,0224 7 1 2 -4,1264 0,103387972707438 BBB+ HIA+ Caco2-
DB04804 mol2, pdbqt 91,9 -0,353 118,135 -5,6831 4 3 0 -11,853 0,495103336307678 BBB- HIA+ Caco2-
DB04805 mol2, pdbqt 609,03 -3,513 823,901 0,6952 17 4 2 7,8074 0,459851569522328 BBB- HIA- Caco2-
DB04806 mol2, pdbqt 239,64 -3,301 408,631 0,6952 7 5 0 -5,48 0,115938292088112 BBB+ HIA+ Caco2-
DB04807 mol2, pdbqt 295,54 -1,998 449,432 -1,8221 12 6 2 -8,5829 0,401913522157904 BBB- HIA- Caco2-
DB04808 mol2, pdbqt 218,5 -0,159 322,36 -5,6368 10 8 1 3,5999 0,930705022913821 BBB- HIA- Caco2-
DB04809 mol2, pdbqt 308,98 -4,356 386,406 0,4974 6 1 0 -1,4432 0,440347314244763 BBB+ HIA- Caco2-
DB04810 mol2, pdbqt 281,46 -4,121 358,352 0,0449 6 1 0 -0,35818 0,553718222545741 BBB+ HIA- Caco2-
Page 
 of 344
Records 4281 to 4300 of 6870
These data are only available for scientific research purposes.