• Drug Bank
Page 
 of 344
Records 3121 to 3140 of 6870
 
Molecule Name
Download
TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB03535 mol2, pdbqt 253,22 -2,668 330,383 1,5787 6 0 0 -2,4093 0,479689637628446 BBB+ HIA+ Caco2-
DB03536 mol2, pdbqt 313,06 -2,654 397,449 -1,0169 9 5 0 0,73678 0,710058920328854 BBB+ HIA+ Caco2-
DB03537 mol2, pdbqt 220,83 -1,17 305,289 -3,6107 8 4 0 -4,8323 0,285948791712012 BBB- HIA+ Caco2-
DB03539 mol2, pdbqt 137,58 -1,402 200,193 -1,8642 6 3 0 0,47114 0,628823199365725 BBB+ HIA- Caco2-
DB03540 mol2, pdbqt 84,29 -1,938 110,155 1,247 1 0 0 -0,88702 0,621319193827022 BBB+ HIA+ Caco2+
DB03541 mol2, pdbqt 359,28 -4,799 477,476 -0,1361 11 5 1 -7,6667 0,302907983515488 BBB- HIA- Caco2-
DB03542 mol2, pdbqt 156,82 1,824 258,118 -8,2738 9 5 0 -9,0333 0,486786697472963 BBB+ HIA- Caco2-
DB03543 mol2, pdbqt 239,36 0,485 351,247 -4,6747 10 7 1 -19,626 0,463106195773282 BBB- HIA- Caco2-
DB03544 mol2, pdbqt 126,34 1,48 201,139 -6,4005 6 4 0 -12,353 0,106462809183316 BBB+ HIA- Caco2-
DB03546 mol2, pdbqt 378,86 -2,969 549,501 -5,2362 13 9 3 -21,779 0,319267450426824 BBB- HIA- Caco2-
DB03548 mol2, pdbqt 153,78 0,259 238,191 -3,3481 8 6 1 -0,46413 0,676815750842698 BBB+ HIA- Caco2-
DB03549 mol2, pdbqt 263,6 -4,395 364,425 1,3458 8 3 0 -16,473 0,373120996777731 BBB+ HIA+ Caco2-
DB03550 mol2, pdbqt 244,29 -1,198 359,402 -2,3368 9 4 0 -8,4782 0,455876150854636 BBB- HIA- Caco2-
DB03551 mol2, pdbqt 195,1 -0,636 267,308 -2,7954 7 4 0 4,2853 0,958276052926636 BBB- HIA+ Caco2-
DB03552 mol2, pdbqt 138,49 -1,245 181,19 -1,8949 4 3 0 -11,045 0,48877064551685 BBB- HIA+ Caco2-
DB03553 mol2, pdbqt 102,98 -0,744 132,115 -0,2122 4 2 0 -7,4053 0,492498662577901 BBB+ HIA+ Caco2-
DB03554 mol2, pdbqt 109,41 -1,666 237,98 -0,2385 4 2 0 2,3945 0,919821286215051 BBB+ HIA+ Caco2-
DB03555 mol2, pdbqt 286,28 -5,011 382,438 3,1006 6 4 0 -4,9376 0,254305016041038 BBB+ HIA+ Caco2-
DB03556 mol2, pdbqt 346,03 0,155 398,491 -0,6895 9 1 0 -21,677 0,158730406675333 BBB+ HIA+ Caco2+
DB03557 mol2, pdbqt 597,42 -5,295 873,706 -3,6417 18 11 3 -22,069 0,180321422926129 BBB+ HIA- Caco2-
Page 
 of 344
Records 3121 to 3140 of 6870
These data are only available for scientific research purposes.