• Drug Bank
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Records 2681 to 2700 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
DB03063 mol2, pdbqt 609,94 -7,391 805,922 5,3962 13 2 3 4,3265 0,154738079415558 BBB- HIA+ Caco2-
DB03064 mol2, pdbqt 212,33 -3,076 253,341 3,0247 4 2 0 -15,517 0,428800710084461 BBB+ HIA+ Caco2-
DB03065 mol2, pdbqt 148,32 -2,243 205,177 -0,2102 7 2 0 -1,4798 0,339225123624179 BBB+ HIA+ Caco2-
DB03066 mol2, pdbqt 68,71 -0,33 90,0776 -0,8665 3 2 0 -2,02 0,553167729283894 BBB+ HIA+ Caco2-
DB03067 mol2, pdbqt 416,5 -7,883 586,468 2,4772 15 4 2 -4,4953 7,75955351102195E-02 BBB+ HIA+ Caco2-
DB03068 mol2, pdbqt 158,62 -0,888 228,203 -1,861 7 3 0 0,11465 0,743775909539656 BBB+ HIA+ Caco2-
DB03069 mol2, pdbqt 328,94 2,565 535,291 -8,4372 18 9 3 -34,123 0,348829724235728 BBB+ HIA- Caco2-
DB03070 mol2, pdbqt 398,86 0,848 716,351 -9,6394 21 9 3 -33,229 0,266960965783251 BBB+ HIA- Caco2-
DB03071 mol2, pdbqt 150,97 0,514 199,209 -3,3802 6 3 0 -2,8026 0,520520566175288 BBB+ HIA+ Caco2-
DB03072 mol2, pdbqt 294,38 -4,041 377,462 3,5488 4 1 0 2,6033 0,409492787969816 BBB+ HIA+ Caco2-
DB03073 mol2, pdbqt 121,79 -1,723 151,164 0,6769 3 1 0 -0,56978 0,658922368764618 BBB+ HIA+ Caco2+
DB03074 mol2, pdbqt 132,13 -2,069 175,151 -1,0711 6 4 0 -2,1211 0,53353865136904 BBB+ HIA+ Caco2-
DB03075 mol2, pdbqt 138,02 5,249 256,968 -9,9547 10 6 1 -15,799 0,487153980004406 BBB+ HIA- Caco2-
DB03076 mol2, pdbqt 467,54 -4,801 631,748 3,8981 10 3 1 3,1338 0,388676332556583 BBB- HIA+ Caco2-
DB03077 mol2, pdbqt 244,5 -1,219 300,354 -0,7303 7 2 0 -16,234 0,283811402084884 BBB- HIA+ Caco2-
DB03078 mol2, pdbqt 216,44 -2,412 292,226 0,86 5 1 0 -35,762 0,221025045344005 BBB+ HIA+ Caco2-
DB03079 mol2, pdbqt 215,25 -0,303 330,232 -3,5476 9 4 0 -20,648 0,468987196692792 BBB+ HIA- Caco2-
DB03081 mol2, pdbqt 450,22 -3,316 601,723 2,0956 12 5 2 5,1554 0,329745216115852 BBB- HIA- Caco2-
DB03082 mol2, pdbqt 316,68 -4,808 411,468 2,0314 8 5 0 0,80525 0,200309581440726 BBB+ HIA+ Caco2-
DB03083 mol2, pdbqt 240,22 -3,423 311,336 2,0557 5 1 0 2,7025 0,493722266818438 BBB+ HIA+ Caco2+
Page 
 of 344
Records 2681 to 2700 of 6870
These data are only available for scientific research purposes.