• Drug Bank
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Records 101 to 120 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
DB00214 mol2, pdbqt 108,57 -3,435 348,426 2,2097 7 3 0 5,0933 0,658150181859006 BBB+ HIA+ Caco2-
DB00215 mol2, pdbqt 36,26 -3,975 324,398 2,7864 3 0 0 -3,3305 0,403721050130488 BBB+ HIA+ Caco2+
DB00216 mol2, pdbqt 61,55 -4,315 382,526 3,4023 4 1 0 -10,274 0,343789797188334 BBB+ HIA+ Caco2-
DB00217 mol2, pdbqt 36,42 -2,009 177,25 0,9281 3 2 0 2,2046 0,910459331082984 BBB+ HIA+ Caco2+
DB00218 mol2, pdbqt 82,11 -4,232 401,437 -0,9536 7 2 0 1,5957 0,679352172167536 BBB- HIA+ Caco2-
DB00219 mol2, pdbqt 49,77 -2,672 348,505 1,9556 4 1 0 8,4984 0,521132553054067 BBB+ HIA+ Caco2+
DB00220 mol2, pdbqt 127,2 -5,587 567,792 4,4556 7 4 1 0,6687 0,30078377805643 BBB- HIA+ Caco2-
DB00221 mol2, pdbqt 72,72 -1,79 239,314 1,2639 4 4 0 4,0634 0,94083444379827 BBB- HIA+ Caco2-
DB00222 mol2, pdbqt 140,04 -4,537 490,623 3,864 9 3 0 6,8097 0,541265792472666 BBB- HIA+ Caco2-
DB00223 mol2, pdbqt 94,83 -3,433 410,455 1,1374 5 3 0 4,2291 0,470113945296789 BBB+ HIA+ Caco2+
DB00224 mol2, pdbqt 118,03 -3,323 613,8 2,8457 9 4 1 6,0099 0,524839916203567 BBB- HIA+ Caco2-
DB00225 mol2, pdbqt 146,82 3,644 573,659 -5,5097 13 2 2 2,6218 0,624231792130875 BBB+ HIA- Caco2-
DB00226 mol2, pdbqt 82,86 -2,384 213,28 -0,2338 5 2 0 -4,0673 0,482195437652947 BBB+ HIA+ Caco2-
DB00227 mol2, pdbqt 72,83 -4,573 404,545 3,895 5 1 0 1,6515 0,568228612376306 BBB+ HIA+ Caco2-
DB00228 mol2, pdbqt 9,23 -2,488 184,491 1,4972 1 0 0 -12,284 6,07763998920742E-02 BBB+ HIA+ Caco2+
DB00229 mol2, pdbqt 251,3 -1,928 525,638 -1,8752 13 3 2 13,787 0,695724757581306 BBB- HIA+ Caco2-
DB00230 mol2, pdbqt 63,32 -1,428 159,228 -1,0962 3 2 0 -0,52847 0,66974745914376 BBB+ HIA+ Caco2-
DB00231 mol2, pdbqt 52,9 -4,486 300,744 2,6341 4 1 0 3,6654 0,441645101577472 BBB+ HIA+ Caco2+
DB00232 mol2, pdbqt 126,33 -2,318 360,241 0,625 7 2 0 6,3615 0,191257889416395 BBB- HIA+ Caco2-
DB00233 mol2, pdbqt 83,55 -1,409 153,137 0,1217 4 3 0 -1,5411 9,91308254162659E-02 BBB- HIA+ Caco2-
Page 
 of 344
Records 101 to 120 of 6870
These data are only available for scientific research purposes.