• Drug Bank
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 of 344
Records 2541 to 2560 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
DB02912 mol2, pdbqt 547,44 0,747 823,602 -9,7395 24 9 3 -43,564 0,254636450320033 BBB- HIA+ Caco2-
DB02914 mol2, pdbqt 249,11 -3,942 268,442 6,8999 0 0 1 -6,4307 0,153160934279354 BBB+ HIA+ Caco2+
DB02915 mol2, pdbqt 250,44 -4,78 350,367 4,4058 4 1 0 -4,8777 0,299062440310723 BBB+ HIA+ Caco2+
DB02916 mol2, pdbqt 221,92 -2,472 346,323 -2,3611 12 4 1 -7,9607 0,448655114679219 BBB+ HIA+ Caco2-
DB02917 mol2, pdbqt 274,18 -4,268 389,455 1,8121 7 2 0 4,2531 0,262719768005909 BBB+ HIA+ Caco2-
DB02918 mol2, pdbqt 195,9 -3,409 268,218 1,2376 5 1 0 -0,69098 0,585938784481451 BBB+ HIA+ Caco2+
DB02919 mol2, pdbqt 284,04 -4,524 370,412 1,1661 9 2 0 2,4989 0,702395336293235 BBB+ HIA+ Caco2+
DB02920 mol2, pdbqt 415,12 -11,104 642,041 4,3093 9 3 1 -4,4992 0,121748508341015 BBB- HIA+ Caco2-
DB02921 mol2, pdbqt 169,12 -1,657 252,269 -0,7118 6 3 0 4,6412 0,952863028377477 BBB- HIA+ Caco2-
DB02922 mol2, pdbqt 95,53 -2,018 184,035 1,2526 2 2 0 -19,644 0,476998039164036 BBB+ HIA+ Caco2-
DB02923 mol2, pdbqt 145,72 -3,11 186,209 2,6274 2 2 0 -2,12 0,489595517210171 BBB+ HIA+ Caco2+
DB02924 mol2, pdbqt 128,11 -2,435 152,236 2,3448 1 0 0 -19,563 0,462775779868919 BBB+ HIA+ Caco2+
DB02925 mol2, pdbqt 256,06 -4,547 362,405 1,7953 7 2 0 4,042 0,432075916995282 BBB+ HIA+ Caco2-
DB02927 mol2, pdbqt 227,86 -0,508 312,258 -4,7446 9 5 0 -39,095 0,473574397158412 BBB+ HIA- Caco2-
DB02928 mol2, pdbqt 153,36 -1,025 212,204 -2,9179 6 5 0 -11,045 0,487715590672453 BBB- HIA- Caco2-
DB02929 mol2, pdbqt 334,22 -4 424,607 3,3318 4 0 0 7,3746 0,68186994087158 BBB+ HIA+ Caco2+
DB02930 mol2, pdbqt 316,49 -0,431 523,248 -8,2895 17 7 3 -29,68 0,109314261984458 BBB+ HIA- Caco2-
DB02931 mol2, pdbqt 658,42 -1,452 967,778 -7,9871 26 11 3 -29,279 0,24739879115005 BBB- HIA+ Caco2-
DB02932 mol2, pdbqt 291,11 -5,084 430,377 2,1426 6 2 0 -11,827 0,244249430999476 BBB+ HIA+ Caco2-
DB02933 mol2, pdbqt 205,81 -3,521 296,35 -0,2239 7 3 0 -0,68183 0,580186145790411 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2541 to 2560 of 6870
These data are only available for scientific research purposes.