• Drug Bank
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 of 344
Records 3781 to 3800 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
DB04250 mol2, pdbqt 169,87 -0,139 190,33 -0,286 2 0 0 -4,3006 0,497492634072763 BBB+ HIA+ Caco2+
DB04252 mol2, pdbqt 125,69 -0,612 176,128 -2,3005 7 4 0 -8,1729 0,491909038089599 BBB+ HIA- Caco2-
DB04254 mol2, pdbqt 255,53 -4,768 343,361 3,2377 7 1 0 -0,95085 0,430941485620162 BBB+ HIA+ Caco2-
DB04255 mol2, pdbqt 484,35 -4,385 633,739 1,6403 11 6 3 1,5448 0,345251030209147 BBB- HIA- Caco2-
DB04256 mol2, pdbqt 152,65 -1,549 209,2 -1,9803 5 3 0 -3,2009 0,503772454411428 BBB- HIA+ Caco2-
DB04257 mol2, pdbqt 241,48 -4,011 254,412 5,8103 2 1 1 -26,101 0,275587738245763 BBB+ HIA+ Caco2+
DB04258 mol2, pdbqt 373,42 -5,5 454,692 6,8234 3 3 1 -2,26 0,105142991151441 BBB+ HIA+ Caco2+
DB04259 mol2, pdbqt 236,56 0,526 379,265 -6,4185 13 7 2 -17,683 0,451554474929547 BBB+ HIA- Caco2-
DB04260 mol2, pdbqt 223,04 -1,983 337,222 -2,7014 9 4 0 -18,736 0,457907444326975 BBB+ HIA+ Caco2-
DB04261 mol2, pdbqt 46,12 -0,722 61,0398 -0,9216 3 2 0 -1,3919 0,213526755755458 BBB+ HIA+ Caco2-
DB04262 mol2, pdbqt 261,12 -1,966 386,316 -3,9373 13 7 2 3,4297 0,863774891445204 BBB- HIA+ Caco2-
DB04263 mol2, pdbqt 337,83 -0,391 496,556 -5,8631 14 10 2 4,9083 0,748679436154052 BBB- HIA- Caco2-
DB04264 mol2, pdbqt 347,8 -4,343 482,448 0,6836 12 6 2 -9,8341 0,319758892723517 BBB- HIA- Caco2-
DB04265 mol2, pdbqt 207,75 0,114 309,27 -3,9051 10 7 1 -0,7991 0,623045327663662 BBB- HIA- Caco2-
DB04266 mol2, pdbqt 290,63 -0,965 411,346 -4,172 12 9 2 -15,4 0,43204671463383 BBB+ HIA- Caco2-
DB04267 mol2, pdbqt 120,22 -0,895 167,12 -0,2631 5 2 0 -1,5746 0,574292791274405 BBB+ HIA+ Caco2+
DB04268 mol2, pdbqt 541,95 -2,103 785,75 -3,8843 21 10 3 -5,0009 0,151661336863534 BBB- HIA- Caco2-
DB04269 mol2, pdbqt 559,58 -3,429 731,808 -1,1976 17 9 3 3,7235 0,477446168963219 BBB- HIA+ Caco2-
DB04270 mol2, pdbqt 315,32 -4,537 403,477 4,1734 5 1 0 -5,8999 0,301989132127544 BBB+ HIA+ Caco2-
DB04271 mol2, pdbqt 139,88 -1,366 168,195 0,6683 4 1 0 -0,93132 0,623211405382308 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3781 to 3800 of 6870
These data are only available for scientific research purposes.