• Drug Bank
Page 
 of 344
Records 5181 to 5200 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
DB07517 mol2, pdbqt 190,71 -2,7 240,254 1,8828 5 2 0 -2,2168 0,301269670253005 BBB+ HIA+ Caco2+
DB07518 mol2, pdbqt 164,25 -0,841 210,293 0,926 4 1 0 -6,0069 0,13991559111849 BBB+ HIA+ Caco2-
DB07519 mol2, pdbqt 277,53 -4,802 351,449 3,096 5 1 0 2,5032 0,646871350715965 BBB+ HIA+ Caco2-
DB07520 mol2, pdbqt 325,63 -3,028 482,497 -0,1942 8 3 0 -3,9633 0,370142601104038 BBB+ HIA+ Caco2-
DB07521 mol2, pdbqt 356,74 -4,301 484,494 3,2255 6 4 0 2,6657 0,347182911084991 BBB+ HIA+ Caco2-
DB07522 mol2, pdbqt 275,05 -4,028 370,472 2,295 5 3 0 2,1661 0,723597496668421 BBB+ HIA+ Caco2-
DB07524 mol2, pdbqt 167,41 -3,769 209,251 2,5114 3 2 0 0,20583 0,651816699003983 BBB+ HIA+ Caco2-
DB07525 mol2, pdbqt 191,97 -3,92 238,289 2,7269 3 1 0 -0,016087 0,609773734956884 BBB+ HIA+ Caco2-
DB07526 mol2, pdbqt 310,35 -4,345 409,573 2,6618 6 2 0 -11,297 0,124652791154979 BBB+ HIA+ Caco2-
DB07527 mol2, pdbqt 299,49 -3,472 392,518 2,0623 6 3 0 3,6314 0,469124641049058 BBB- HIA+ Caco2-
DB07528 mol2, pdbqt 279,35 -5,289 396,371 3,3731 5 1 0 -4,355 0,294751057905766 BBB+ HIA+ Caco2+
DB07529 mol2, pdbqt 150,24 -1,558 205,241 0,1435 4 2 0 3,2732 0,949186705976475 BBB+ HIA+ Caco2-
DB07530 mol2, pdbqt 347,31 -7,746 482,503 6,0705 3 3 1 -25,16 0,129133755931844 BBB+ HIA+ Caco2+
DB07531 mol2, pdbqt 235,47 -4,508 350,374 1,1923 7 2 0 5,5807 0,267489665800092 BBB+ HIA+ Caco2-
DB07532 mol2, pdbqt 180,48 -1,447 217,264 0,4892 5 3 0 -21,822 0,289431991424101 BBB+ HIA+ Caco2-
DB07533 mol2, pdbqt 253,23 -3,342 363,417 1,1547 7 3 0 5,7761 0,300618193950336 BBB- HIA+ Caco2-
DB07534 mol2, pdbqt 238,03 -3,688 349,39 0,7933 7 3 0 5,7939 0,296484828418005 BBB- HIA+ Caco2-
DB07535 mol2, pdbqt 196,86 -3,578 254,292 1,0722 5 3 0 -0,53579 0,596850049081222 BBB+ HIA+ Caco2-
DB07536 mol2, pdbqt 346,8 -2,537 437,494 1,2818 8 4 0 -0,70721 0,530148317578017 BBB- HIA- Caco2-
DB07537 mol2, pdbqt 292,54 -4,909 366,463 3,1258 6 3 0 -0,45141 0,452226808339206 BBB+ HIA+ Caco2+
Page 
 of 344
Records 5181 to 5200 of 6870
These data are only available for scientific research purposes.