• Drug Bank
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Records 861 to 880 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
DB01014 mol2, pdbqt 148,65 -3,875 357,321 2,0244 9 4 0 -3,1971 8,87511001269651E-02 BBB+ HIA+ Caco2-
DB01015 mol2, pdbqt 106,6 -3,015 253,281 0,441 6 2 0 2,7731 0,884923317066213 BBB+ HIA+ Caco2-
DB01016 mol2, pdbqt 121,98 -5,398 494,01 3,9494 8 3 0 4,5284 0,460574954004053 BBB- HIA+ Caco2-
DB01017 mol2, pdbqt 164,63 -1,999 457,481 -1,102 10 5 0 4,5967 0,78834218472332 BBB- HIA+ Caco2+
DB01018 mol2, pdbqt 78,97 -2,783 246,096 1,3437 4 3 0 2,4374 0,880748572911807 BBB+ HIA+ Caco2-
DB01019 mol2, pdbqt 55,56 -0,386 161,224 -1,4226 4 1 0 -0,87063 0,24515744350131 BBB+ HIA+ Caco2+
DB01020 mol2, pdbqt 93,74 -1,351 191,138 -1,9234 7 1 0 -1,8743 0,552361997474634 BBB+ HIA+ Caco2-
DB01021 mol2, pdbqt 135,12 -3,029 380,66 0,6037 7 3 0 7,3333 0,109243238767071 BBB- HIA+ Caco2-
DB01022 mol2, pdbqt 34,14 -7,516 450,704 10,145 2 0 1 -2,1844 0,122284963795649 BBB+ HIA+ Caco2+
DB01023 mol2, pdbqt 64,63 -4,544 384,258 4,094 5 1 0 0,51519 0,505023801356799 BBB- HIA+ Caco2+
DB01024 mol2, pdbqt 93,06 -3,014 320,34 2,297 6 2 0 -0,61321 0,583049271848175 BBB+ HIA+ Caco2-
DB01025 mol2, pdbqt 102,51 -6,142 298,297 3,0633 6 2 0 -0,98673 0,354831051425583 BBB- HIA+ Caco2-
DB01026 mol2, pdbqt 69,06 -2,995 531,438 3,3639 8 0 1 8,14 0,607643079050174 BBB+ HIA+ Caco2+
DB01028 mol2, pdbqt 9,23 -1,968 164,966 1,8198 1 0 0 -7,2092 6,15445304759543E-02 BBB+ HIA+ Caco2+
DB01029 mol2, pdbqt 87,13 -6,887 428,538 4,0191 7 1 0 -6,2491 0,208336907548351 BBB+ HIA+ Caco2-
DB01030 mol2, pdbqt 103,2 -1,959 421,452 0,461 8 2 0 6,6593 0,835226906925338 BBB- HIA+ Caco2-
DB01031 mol2, pdbqt 52,32 -2,857 167,207 0,9809 3 1 0 -3,9694 0,284367968719123 BBB+ HIA+ Caco2+
DB01032 mol2, pdbqt 83,06 -1,908 285,363 2,0847 5 1 0 3,9308 0,327810255778311 BBB+ HIA+ Caco2-
DB01033 mol2, pdbqt 85,16 -1,843 152,181 -0,6589 4 2 0 0,74026 0,813771228700112 BBB+ HIA+ Caco2-
DB01034 mol2, pdbqt 72,69 -2,114 223,271 0,9151 4 1 0 -5,7072 0,475914726133071 BBB+ HIA+ Caco2-
Page 
 of 344
Records 861 to 880 of 6870
These data are only available for scientific research purposes.