• Drug Bank
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Records 3801 to 3820 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
DB04273 mol2, pdbqt 157,1 -3,583 216,11 2,6794 1 1 0 -0,92363 0,544669334907198 BBB+ HIA+ Caco2+
DB04274 mol2, pdbqt 179,88 -3,232 240,257 2,8471 3 1 0 -0,22006 0,621603585364637 BBB+ HIA+ Caco2+
DB04275 mol2, pdbqt 172,77 -2,115 218,255 1,1965 4 3 0 2,8596 0,921436275619189 BBB+ HIA+ Caco2-
DB04276 mol2, pdbqt 286,91 -0,962 360,433 -1,2049 10 7 1 4,9346 0,908949872256129 BBB- HIA- Caco2-
DB04277 mol2, pdbqt 168,14 2,075 260,134 -6,4208 9 6 1 -20,32 0,291890165152929 BBB+ HIA- Caco2-
DB04278 mol2, pdbqt 317,71 -2,696 400,546 -0,7415 9 6 1 -6,9073 0,421527604277864 BBB- HIA+ Caco2-
DB04279 mol2, pdbqt 130,07 -0,665 176,167 -0,7974 5 3 0 -1,0215 0,62101878323309 BBB+ HIA+ Caco2-
DB04280 mol2, pdbqt 199,31 0,694 310,198 -4,8718 10 5 0 -18,674 0,475939726448121 BBB+ HIA- Caco2-
DB04281 mol2, pdbqt 265,27 -5,643 366,843 5,25 3 2 1 -0,60518 0,299486491545723 BBB- HIA+ Caco2+
DB04282 mol2, pdbqt 118,01 -0,331 182,146 -1,9197 5 4 0 -2,6788 0,523672064987563 BBB+ HIA- Caco2-
DB04283 mol2, pdbqt 118,69 -2,5 215,01 0,9519 5 2 0 -1,8667 0,532212798190279 BBB+ HIA+ Caco2-
DB04284 mol2, pdbqt 119,45 -0,081 144,193 -1,372 3 1 0 3,5409 0,974732134305318 BBB+ HIA+ Caco2+
DB04285 mol2, pdbqt 427,17 -8,596 602,601 4,8543 7 2 1 -18,014 4,35110138687954E-02 BBB+ HIA+ Caco2-
DB04286 mol2, pdbqt 99,16 0,122 150,129 -2,0188 5 4 0 -5,0602 0,29863594966451 BBB- HIA- Caco2-
DB04287 mol2, pdbqt 406,3 -6,169 487,638 6,7293 5 2 1 -5,1026 0,137566216476593 BBB+ HIA+ Caco2-
DB04288 mol2, pdbqt 318,88 -5,367 405,548 3,3523 7 3 0 -2,3313 0,309635091177082 BBB+ HIA+ Caco2-
DB04289 mol2, pdbqt 295,84 -4,936 393,489 4,7906 4 1 0 7,1102 0,188629260879651 BBB+ HIA+ Caco2+
DB04290 mol2, pdbqt 330,59 2,212 489,333 -8,6436 15 5 1 -33,613 0,382847953278953 BBB- HIA- Caco2-
DB04291 mol2, pdbqt 124,73 -0,826 167,163 -2,3976 4 3 0 -6,9543 0,492040242607638 BBB- HIA+ Caco2-
DB04292 mol2, pdbqt 194,38 -2,095 236,314 -2,8183 4 3 0 -7,6919 0,47727446717505 BBB- HIA+ Caco2-
Page 
 of 344
Records 3801 to 3820 of 6870
These data are only available for scientific research purposes.