• Drug Bank
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Records 2121 to 2140 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
DB02459 mol2, pdbqt 137,65 -1,414 179,178 0,4093 5 4 0 0,94135 0,835045269059258 BBB+ HIA+ Caco2-
DB02460 mol2, pdbqt 629,61 -6,139 880,985 2,9563 18 8 3 -1,4468 0,176079813934575 BBB+ HIA+ Caco2-
DB02461 mol2, pdbqt 140,1 -0,315 215,165 -6,1376 6 4 0 -16,325 0,489811446307461 BBB+ HIA- Caco2-
DB02462 mol2, pdbqt 205,81 -1,654 263,36 1,2263 3 0 0 4,4683 0,939760588175091 BBB+ HIA+ Caco2+
DB02463 mol2, pdbqt 192,04 -2,892 252,296 1,7918 4 4 0 0,66286 0,751010447340758 BBB+ HIA+ Caco2-
DB02464 mol2, pdbqt 95,54 -1,576 107,155 0,6645 1 1 0 -2,0712 0,541239988110516 BBB+ HIA+ Caco2+
DB02465 mol2, pdbqt 335,5 -4,141 370,487 8,0387 2 0 1 -37,323 0,121871290270561 BBB+ HIA+ Caco2+
DB02466 mol2, pdbqt 285,25 -6,259 362,467 4,8477 3 1 0 -3,4879 0,222262530522073 BBB+ HIA+ Caco2+
DB02467 mol2, pdbqt 121,12 0,032 165,212 -4,3006 4 2 0 -14,296 0,493951092328954 BBB+ HIA+ Caco2-
DB02468 mol2, pdbqt 470,61 -13,076 694,611 6,1232 8 2 2 -1,9983 9,48489454393475E-02 BBB+ HIA+ Caco2-
DB02469 mol2, pdbqt 112,33 -0,332 163,172 -2,0919 5 4 0 -0,26539 0,707230924081933 BBB- HIA- Caco2-
DB02470 mol2, pdbqt 176,98 1,96 290,16 -6,432 10 7 1 -19,033 0,384895272167746 BBB+ HIA- Caco2-
DB02471 mol2, pdbqt 134,4 1,113 202,169 -2,4729 8 4 0 0,85353 0,837886231230051 BBB- HIA+ Caco2-
DB02472 mol2, pdbqt 178,46 -1,838 270,244 -1,9323 9 5 0 -0,87 0,615238111034954 BBB+ HIA+ Caco2-
DB02473 mol2, pdbqt 299,67 -5,522 384,482 3,7442 5 3 0 2,0552 0,517942226603971 BBB+ HIA+ Caco2-
DB02474 mol2, pdbqt 261,36 -1,313 350,366 -1,1605 10 6 1 -6,1289 0,459242639014928 BBB- HIA- Caco2-
DB02475 mol2, pdbqt 173,74 -0,108 228,251 -1,2101 7 4 0 2,2145 0,928805598176944 BBB- HIA+ Caco2-
DB02477 mol2, pdbqt 493,99 -3,622 596,814 2,9505 10 5 1 -1,2311 0,321868155674146 BBB- HIA+ Caco2-
DB02479 mol2, pdbqt 275,41 -3,075 371,46 2,052 6 2 0 6,1825 0,831734393201532 BBB+ HIA+ Caco2-
DB02480 mol2, pdbqt 189,02 1,386 343,002 -5,0231 8 4 0 -34,546 0,10078854561731 BBB+ HIA- Caco2-
Page 
 of 344
Records 2121 to 2140 of 6870
These data are only available for scientific research purposes.