• Drug Bank
Page 
 of 344
Records 4381 to 4400 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB06212 mol2, pdbqt 69,64 -6,381 448,949 5,5932 5 2 1 3,4438 0,198199134527232 BBB+ HIA+ Caco2-
DB06213 mol2, pdbqt 186,46 0,291 390,359 -2,4947 13 5 1 3,6172 0,880081559381352 BBB+ HIA+ Caco2-
DB06216 mol2, pdbqt 12,47 -4,906 285,773 4,9405 2 0 0 4,3683 0,552992051426139 BBB+ HIA+ Caco2+
DB06217 mol2, pdbqt 51,16 -2,868 349,469 2,643 5 1 0 -0,96122 0,537536473907748 BBB+ HIA+ Caco2+
DB06218 mol2, pdbqt 67,43 -1,54 250,297 0,0169 5 2 0 -0,64806 0,643542730914779 BBB+ HIA+ Caco2-
DB06219 mol2, pdbqt 572,51 -13,126 1816,71 -1,8066 38 21 3 -8,2604 0,125000180596385 BBB- HIA- Caco2-
DB06228 mol2, pdbqt 116,42 -4,558 435,887 1,9744 8 1 0 -0,1021 0,175531633742153 BBB+ HIA+ Caco2+
DB06237 mol2, pdbqt 125,39 -3,746 483,958 1,4906 10 3 0 0,94876 0,583442338317619 BBB- HIA+ Caco2-
DB06243 mol2, pdbqt 89,34 -1,095 182,169 -4,9852 4 3 0 -8,9035 0,293865991015511 BBB+ HIA+ Caco2-
DB06255 mol2, pdbqt 146,71 0,47 287,188 -6,6444 7 5 0 -15,098 0,38475490219384 BBB+ HIA- Caco2-
DB06261 mol2, pdbqt 69,39 -1,998 215,292 1,3384 4 1 0 -15,897 0,28463499137859 BBB+ HIA+ Caco2+
DB06262 mol2, pdbqt 124,01 -0,401 213,188 -3,3107 6 5 0 -5,5254 0,49167749200724 BBB- HIA+ Caco2-
DB06263 mol2, pdbqt 176,61 -4,618 483,472 0,8393 10 5 0 -3,9875 0,112319826597857 BBB- HIA+ Caco2-
DB06267 mol2, pdbqt 126,3 -3,736 516,665 2,2559 10 2 1 5,891 0,6248675401984 BBB+ HIA+ Caco2-
DB06268 mol2, pdbqt 144,35 -6,559 454,91 3,3593 8 1 0 4,5285 0,437693402846608 BBB+ HIA+ Caco2-
DB06274 mol2, pdbqt 89,87 -3,256 424,539 1,8392 6 3 0 0,59744 0,638483869207946 BBB- HIA+ Caco2-
DB06282 mol2, pdbqt 53,01 -2,391 388,894 0,8672 5 1 0 4,3857 0,852880854518712 BBB+ HIA+ Caco2-
DB06287 mol2, pdbqt 241,96 -6,716 1030,3 6,3803 17 4 3 -4,1597 0,087978986830662 BBB- HIA- Caco2-
DB06288 mol2, pdbqt 110,11 -2,851 369,484 0,6656 7 2 0 7,3468 0,860038119874924 BBB+ HIA+ Caco2-
DB06290 mol2, pdbqt 200,49 -6,712 749,951 5,5362 12 2 3 2,7031 0,120105184276645 BBB- HIA+ Caco2+
Page 
 of 344
Records 4381 to 4400 of 6870
These data are only available for scientific research purposes.