• Drug Bank
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Records 3541 to 3560 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
DB03995 mol2, pdbqt 712,67 1,57 1134,98 -12,86 35 21 3 -10,037 0,249958472317835 BBB+ HIA- Caco2-
DB03996 mol2, pdbqt 230,83 -4,056 314,771 3,4887 4 1 0 3,3521 0,731430572075182 BBB+ HIA+ Caco2+
DB03997 mol2, pdbqt 156,6 1,182 221,152 -6,3996 7 4 0 -17,174 0,490985377317359 BBB+ HIA- Caco2-
DB03998 mol2, pdbqt 201,98 -1,299 275,263 -3,0433 7 3 0 -1,6481 0,333287149635229 BBB- HIA+ Caco2-
DB03999 mol2, pdbqt 103,51 -0,369 138,102 -1,9696 3 2 0 -16,988 0,49416222120126 BBB+ HIA+ Caco2-
DB04000 mol2, pdbqt 159,48 -1,445 278,062 -3,8 7 3 0 -8,846 0,228968700881046 BBB- HIA+ Caco2-
DB04001 mol2, pdbqt 174,84 -1,971 248,194 -0,3885 7 4 0 -2,3495 0,310500574061316 BBB+ HIA+ Caco2-
DB04002 mol2, pdbqt 235,69 -3,37 317,433 0,3777 6 3 0 -1,12 0,540563818893062 BBB+ HIA+ Caco2-
DB04003 mol2, pdbqt 457,49 -2,283 619,606 -1,3314 13 7 3 -13,181 0,28857681395448 BBB- HIA- Caco2-
DB04004 mol2, pdbqt 222,57 -2,821 293,394 -0,2967 6 3 0 3,581 0,897873139871984 BBB+ HIA+ Caco2-
DB04005 mol2, pdbqt 283,43 3,141 484,139 -10,702 17 7 2 -34,18 0,386803594540263 BBB+ HIA- Caco2-
DB04006 mol2, pdbqt 273,51 -8,35 377,349 2,7918 5 1 0 1,3406 0,239576498995311 BBB+ HIA+ Caco2+
DB04007 mol2, pdbqt 247,88 -4,221 370,25 1,0959 7 2 0 -1,3412 0,275912056200602 BBB+ HIA+ Caco2-
DB04008 mol2, pdbqt 242,1 -5,623 397,76 -0,6855 8 6 1 -1,7295 0,343508782683442 BBB+ HIA+ Caco2-
DB04009 mol2, pdbqt 442,38 -11,827 644,551 5,5473 8 0 2 -12,138 9,83233124152724E-02 BBB+ HIA+ Caco2-
DB04010 mol2, pdbqt 204,48 -4,079 267,287 1,9195 5 2 0 0,63753 0,673736453258745 BBB+ HIA+ Caco2-
DB04011 mol2, pdbqt 347,86 -5,969 451,576 3,8196 7 2 0 7,7542 0,177266938903833 BBB+ HIA+ Caco2+
DB04012 mol2, pdbqt 298,76 -2,55 414,545 1,0717 7 2 0 -14,253 0,412749157319456 BBB- HIA+ Caco2-
DB04013 mol2, pdbqt 187,81 0,696 280,232 -3,6455 10 7 1 -2,1601 0,532334555467238 BBB- HIA- Caco2-
DB04014 mol2, pdbqt 210,33 -4,77 293,281 1,6369 6 2 0 -3,195 0,229499314339554 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3541 to 3560 of 6870
These data are only available for scientific research purposes.