• Drug Bank
Page 
 of 344
Records 4201 to 4220 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB04706 mol2, pdbqt 316,63 -5,84 402,66 6,3304 2 2 1 -2,1182 0,191990268055535 BBB+ HIA+ Caco2+
DB04707 mol2, pdbqt 218,61 -1,996 307,373 1,1001 6 2 0 3,0224 0,901678603972853 BBB+ HIA+ Caco2-
DB04708 mol2, pdbqt 471,02 -6,639 623,748 4,5917 9 4 1 -12,46 0,137789775585135 BBB- HIA+ Caco2-
DB04709 mol2, pdbqt 241,87 -5,72 350,373 2,4658 6 0 0 -3,4196 0,110269067945313 BBB+ HIA+ Caco2-
DB04710 mol2, pdbqt 490,63 -3,851 618,729 0,6523 14 5 2 -2,6186 0,27861252529743 BBB- HIA+ Caco2-
DB04711 mol2, pdbqt 132,8 -10,134 1139,74 5,1598 8 4 2 -6,9897 9,19201053604047E-02 BBB+ HIA- Caco2-
DB04712 mol2, pdbqt 221,86 0,559 305,333 -0,8529 7 5 0 2,6983 0,55359720279227 BBB- HIA+ Caco2-
DB04713 mol2, pdbqt 158,42 -2,557 291,083 -1,1121 3 2 0 -10,404 0,461426418297315 BBB+ HIA+ Caco2+
DB04714 mol2, pdbqt 162,62 1,576 246,091 -4,3213 7 3 0 -39,057 0,488300381627086 BBB+ HIA- Caco2-
DB04715 mol2, pdbqt 237,54 -5,301 306,368 1,9065 5 1 0 5,1367 0,664163282904912 BBB+ HIA+ Caco2-
DB04716 mol2, pdbqt 226,54 -5,132 309,343 3,5061 4 2 0 -4,7948 0,115344892034043 BBB+ HIA+ Caco2-
DB04717 mol2, pdbqt 497,87 0,184 715,796 -9,8013 21 14 3 1,2723 0,475043245853209 BBB- HIA- Caco2-
DB04718 mol2, pdbqt 527,33 -0,278 755,86 -8,8946 21 14 3 3,4504 0,511876570449913 BBB- HIA- Caco2-
DB04719 mol2, pdbqt 205,53 -5,47 476,792 4,4259 3 1 0 -0,17405 0,124542867612376 BBB+ HIA+ Caco2+
DB04720 mol2, pdbqt 200,46 -5,78 479,816 4,8793 2 1 0 -2,1808 0,082950517266399 BBB+ HIA+ Caco2+
DB04721 mol2, pdbqt 206,92 -4,984 488,803 5,0945 3 0 1 2,9036 0,159202714615114 BBB+ HIA+ Caco2+
DB04722 mol2, pdbqt 343,78 -9,534 497,328 3,164 7 2 0 -2,3588 0,192727162283781 BBB+ HIA+ Caco2-
DB04723 mol2, pdbqt 179,49 -3,019 239,298 0,1255 5 3 0 -4,5417 0,462931757948705 BBB+ HIA+ Caco2-
DB04724 mol2, pdbqt 415,98 -5,667 536,674 4,5903 7 1 1 5,4013 0,372148874022516 BBB- HIA+ Caco2-
DB04726 mol2, pdbqt 186,24 -3,021 256,264 0,1563 6 1 0 4,9758 0,545196592230181 BBB+ HIA+ Caco2+
Page 
 of 344
Records 4201 to 4220 of 6870
These data are only available for scientific research purposes.