• Drug Bank
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 of 344
Records 881 to 900 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
DB01035 mol2, pdbqt 58,36 -1,72 235,33 0,9335 4 2 0 7,955 0,572351805501551 BBB+ HIA+ Caco2+
DB01036 mol2, pdbqt 23,47 -4,065 325,494 5,224 2 1 1 2,8073 0,569623230336062 BBB+ HIA+ Caco2+
DB01037 mol2, pdbqt 3,24 -2,244 187,285 2,0991 1 0 0 5,8738 0,932712093353024 BBB+ HIA+ Caco2+
DB01039 mol2, pdbqt 52,6 -5,538 360,836 4,389 4 0 0 -2,3394 0,282460310612863 BBB+ HIA+ Caco2+
DB01040 mol2, pdbqt 119,97 -1,994 280,33 0,8975 5 5 0 -0,94171 0,359621708444803 BBB+ HIA+ Caco2-
DB01041 mol2, pdbqt 83,55 -2,138 258,232 0,1094 6 1 0 4,3067 0,562687541897037 BBB+ HIA+ Caco2-
DB01042 mol2, pdbqt 66,56 -2,979 305,204 -0,3816 4 2 0 -6,928 9,70764954800366E-02 BBB- HIA+ Caco2+
DB01043 mol2, pdbqt 26,02 -2,942 179,306 1,9846 1 1 0 -0,80275 0,596918951563262 BBB+ HIA+ Caco2+
DB01044 mol2, pdbqt 82,11 -3,716 375,399 -1,2717 7 2 0 4,3011 0,803750281866111 BBB- HIA+ Caco2+
DB01045 mol2, pdbqt 220,15 -6,304 822,95 4,7129 16 6 3 10,525 8,75462037342814E-02 BBB- HIA+ Caco2-
DB01046 mol2, pdbqt 83,83 -4,651 390,465 4,5278 5 2 0 -21,515 0,286503685615063 BBB+ HIA+ Caco2-
DB01047 mol2, pdbqt 99,13 -4,254 494,529 1,6656 7 1 0 2,015 0,588523047271885 BBB+ HIA+ Caco2-
DB01048 mol2, pdbqt 101,88 -2,998 286,338 0,901 7 3 0 -1,2074 0,553254747287328 BBB+ HIA+ Caco2-
DB01049 mol2, pdbqt 118,21 -3,146 535,643 2,58 10 3 1 9,7805 0,374137561615938 BBB- HIA+ Caco2-
DB01050 mol2, pdbqt 37,3 -2,895 206,284 3,0025 2 1 0 0,0805 0,666175082520446 BBB+ HIA+ Caco2+
DB01051 mol2, pdbqt 196,1 -5,272 612,63 3,27 13 5 2 2,3974 0,229551998453348 BBB- HIA+ Caco2-
DB01053 mol2, pdbqt 112,01 -2,037 334,395 1,5375 6 2 0 10,726 0,324972729779043 BBB- HIA- Caco2-
DB01054 mol2, pdbqt 110,45 -3,532 360,365 1,9604 8 1 0 -4,5286 0,412284225478162 BBB- HIA+ Caco2+
DB01055 mol2, pdbqt 103,86 -0,516 198,177 -4,3078 6 3 0 -2,5 0,337881034544744 BBB- HIA- Caco2-
DB01056 mol2, pdbqt 55,12 -2,593 192,261 1,0859 3 2 0 0,63852 0,46543841038454 BBB+ HIA+ Caco2+
Page 
 of 344
Records 881 to 900 of 6870
These data are only available for scientific research purposes.