• Drug Bank
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Records 3901 to 3920 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
DB04383 mol2, pdbqt 91,65 -0,854 103,164 -0,242 2 2 0 -7,9467 0,492876909001424 BBB+ HIA+ Caco2-
DB04384 mol2, pdbqt 418,76 -11,299 636,528 4,221 9 2 1 0,23827 0,191331463575101 BBB- HIA+ Caco2-
DB04385 mol2, pdbqt 167,09 -0,449 242,23 -2,7642 7 4 0 -2,4181 0,526291724482046 BBB+ HIA+ Caco2-
DB04386 mol2, pdbqt 158,58 -0,194 250,202 -2,6402 8 4 0 -1,5402 0,571804379883853 BBB- HIA- Caco2-
DB04387 mol2, pdbqt 136,19 -2,02 157,256 0,8838 2 2 0 -12,453 0,288064725175969 BBB+ HIA+ Caco2-
DB04388 mol2, pdbqt 105,68 -0,654 131,13 -3,2213 4 2 0 -15,987 0,177768165437527 BBB+ HIA+ Caco2-
DB04389 mol2, pdbqt 485,22 -5,299 770,505 -7,5781 24 9 3 -29,955 4,26016063255287E-02 BBB+ HIA- Caco2-
DB04391 mol2, pdbqt 480,49 -1,972 654,783 -0,3639 15 8 3 7,4797 0,55295268155121 BBB- HIA+ Caco2-
DB04392 mol2, pdbqt 235,78 -4,438 336,298 2,2366 6 0 0 -2,197 0,409943848203083 BBB+ HIA+ Caco2+
DB04393 mol2, pdbqt 180,21 -5,089 255,1 3,9215 2 1 0 -2,0066 0,351720025230527 BBB+ HIA+ Caco2+
DB04394 mol2, pdbqt 189,86 -2,679 285,279 -0,5732 8 1 0 -3,7867 0,470099117615473 BBB+ HIA+ Caco2-
DB04395 mol2, pdbqt 302,99 2,546 506,197 -10,069 18 8 3 -31,327 0,370256582132226 BBB+ HIA- Caco2-
DB04396 mol2, pdbqt 227,31 0,231 358,363 -3,1766 10 8 1 -2,2084 0,505627542439829 BBB+ HIA- Caco2-
DB04397 mol2, pdbqt 194,21 3,435 359,073 -5,1263 12 6 2 -18,777 0,461033711948952 BBB+ HIA- Caco2-
DB04398 mol2, pdbqt 57,53 -0,33 90,0776 -0,8665 3 2 0 -2,02 0,553167729283894 BBB+ HIA+ Caco2-
DB04400 mol2, pdbqt 168,66 -1,783 239,234 -2,4741 8 6 1 2,6031 0,926818868581029 BBB+ HIA+ Caco2-
DB04401 mol2, pdbqt 100,63 0,45 102,156 -1,8563 2 0 0 -2,9047 0,41789067315116 BBB+ HIA+ Caco2+
DB04404 mol2, pdbqt 149,6 -0,573 216,236 -1,9428 6 3 0 1,3703 0,878629266255996 BBB- HIA+ Caco2-
DB04405 mol2, pdbqt 356,73 -6,09 471,508 4,2542 7 1 0 1,2044 0,36808587193999 BBB+ HIA+ Caco2-
DB04406 mol2, pdbqt 146,35 -0,42 217,117 -3,353 6 3 0 -13,959 0,313171240481105 BBB+ HIA- Caco2-
Page 
 of 344
Records 3901 to 3920 of 6870
These data are only available for scientific research purposes.