• Drug Bank
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 of 344
Records 2581 to 2600 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
DB02956 mol2, pdbqt 97,69 6,721 162,346 -1,7835 0 0 0 -2,6013 0,152541280751133 BBB+ HIA+ Caco2+
DB02957 mol2, pdbqt 225,5 1,258 368,19 -6,3942 13 6 2 -18,484 0,456922320650532 BBB+ HIA- Caco2-
DB02958 mol2, pdbqt 111,44 -1,122 212,106 -3,2637 4 2 0 -16,125 0,487289668796018 BBB+ HIA+ Caco2-
DB02959 mol2, pdbqt 99,34 -1,77 220,227 -1,8555 5 4 0 -10,243 0,481995981863043 BBB+ HIA+ Caco2-
DB02960 mol2, pdbqt 157,11 -1,497 209,268 -3,5126 4 3 0 -0,12836 0,712463389085889 BBB+ HIA+ Caco2+
DB02961 mol2, pdbqt 120,7 -0,176 164,156 -2,4314 5 4 0 -3,3186 0,306453514859861 BBB+ HIA+ Caco2-
DB02962 mol2, pdbqt 96,19 -1,827 118,139 1,2592 2 1 0 0,099953 0,4408553911531 BBB+ HIA+ Caco2-
DB02963 mol2, pdbqt 223,51 -4,457 322,775 1,1495 6 1 0 4,3121 0,759672815308575 BBB+ HIA+ Caco2+
DB02964 mol2, pdbqt 164,22 -1,308 264,257 -3,3673 8 5 0 -4,4698 0,388419202779167 BBB- HIA- Caco2-
DB02965 mol2, pdbqt 190,04 1,237 290,236 -6,1732 10 6 1 -18,082 0,480861031858837 BBB+ HIA- Caco2-
DB02966 mol2, pdbqt 147,2 -1,125 217,156 -4,149 7 3 0 -7,226 0,389766079179227 BBB- HIA+ Caco2-
DB02967 mol2, pdbqt 98,32 -0,529 125,127 -0,3461 3 0 0 -4,2165 0,300261115774797 BBB+ HIA+ Caco2+
DB02968 mol2, pdbqt 316,13 -1,96 438,48 -6,1046 10 4 0 -1,7058 0,241939868284377 BBB- HIA- Caco2-
DB02969 mol2, pdbqt 114,09 -1,083 143,209 0,7498 2 1 0 -0,43999 0,407744256018319 BBB+ HIA+ Caco2+
DB02970 mol2, pdbqt 121,56 -2,465 135,209 2,1962 1 1 0 -4,2531 0,471502652366823 BBB+ HIA+ Caco2+
DB02971 mol2, pdbqt 132,18 -0,166 162,188 -5,6805 5 3 0 -16,786 0,493772931424878 BBB- HIA+ Caco2-
DB02972 mol2, pdbqt 134,06 -2,336 149,236 1,9083 1 1 0 -0,86063 0,609355581622931 BBB+ HIA+ Caco2+
DB02973 mol2, pdbqt 239,86 -4,179 393,22 1,1928 7 1 0 -9,6848 0,13446141778552 BBB- HIA+ Caco2-
DB02974 mol2, pdbqt 136,77 -2,945 178,622 2,176 2 1 0 0,952 0,780971354379912 BBB+ HIA+ Caco2+
DB02975 mol2, pdbqt 913,79 -3,915 1290,54 1,8105 25 8 3 4,4626 0,425809339388868 BBB- HIA+ Caco2-
Page 
 of 344
Records 2581 to 2600 of 6870
These data are only available for scientific research purposes.