• Drug Bank
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Records 2801 to 2820 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
DB03193 mol2, pdbqt 270,02 -4,779 284,482 6,9713 2 1 1 -25,216 4,54685620278655E-02 BBB+ HIA+ Caco2+
DB03194 mol2, pdbqt 126,07 -0,384 178,183 -1,2662 5 3 0 -1,6055 0,574223193638347 BBB- HIA- Caco2+
DB03195 mol2, pdbqt 208,57 -0,116 324,2 -3,7936 9 3 0 -16,371 0,47114656189425 BBB+ HIA- Caco2-
DB03196 mol2, pdbqt 186,24 -1,795 271,224 -1,0869 8 3 0 -7,5711 0,475167075772584 BBB+ HIA- Caco2-
DB03197 mol2, pdbqt 138,09 -1,165 193,166 -2,0036 7 3 0 1,0867 0,853638026662638 BBB+ HIA+ Caco2-
DB03198 mol2, pdbqt 649,53 0,788 1039,06 -8,833 28 20 3 -6,0584 0,250587826271677 BBB+ HIA- Caco2-
DB03199 mol2, pdbqt 421,72 -4,887 599,631 2,5956 12 4 2 4,4025 0,269137728884349 BBB- HIA+ Caco2-
DB03200 mol2, pdbqt 212,77 -0,144 332,208 -4,8279 11 4 1 -20,648 0,134992107309455 BBB+ HIA- Caco2-
DB03201 mol2, pdbqt 88,24 -1,063 121,16 -3,0583 3 2 0 -11,18 0,492546363101923 BBB+ HIA+ Caco2-
DB03202 mol2, pdbqt 336,01 -4,227 489,474 -0,0873 10 3 0 -25,077 0,321431472696714 BBB+ HIA+ Caco2-
DB03203 mol2, pdbqt 277,36 -3,847 299,497 4,6273 3 3 0 -25,157 0,335789822536746 BBB+ HIA+ Caco2-
DB03204 mol2, pdbqt 113,84 -0,801 138,173 -0,9912 4 2 0 -2,1005 0,546206791976457 BBB+ HIA+ Caco2+
DB03205 mol2, pdbqt 215,65 -2,648 330,208 -0,8801 10 4 0 -1,2407 0,551024351711747 BBB- HIA+ Caco2-
DB03206 mol2, pdbqt 114,38 0,201 163,172 -2,4138 5 5 0 3,055 0,966116217625566 BBB- HIA+ Caco2-
DB03207 mol2, pdbqt 282,28 -4,366 393,462 2,9549 5 1 0 1,6332 0,637737323058892 BBB+ HIA+ Caco2-
DB03208 mol2, pdbqt 619,06 -3,209 940,679 1,8357 26 15 3 -0,25527 0,328346783956249 BBB+ HIA- Caco2-
DB03209 mol2, pdbqt 107,86 -1,265 157,085 -1,9188 7 3 0 -1,5801 0,573635445825599 BBB+ HIA+ Caco2-
DB03210 mol2, pdbqt 133,4 -1,94 165,191 0,9199 3 2 0 -2,4721 0,517853226212757 BBB+ HIA+ Caco2+
DB03211 mol2, pdbqt 119,78 -0,14 164,096 -2,6877 4 2 0 -19,813 0,493618594635455 BBB+ HIA- Caco2-
DB03212 mol2, pdbqt 132,01 0,183 194,138 -2,8232 7 5 0 0,57525 0,807383709698545 BBB+ HIA- Caco2-
Page 
 of 344
Records 2801 to 2820 of 6870
These data are only available for scientific research purposes.