• Drug Bank
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Records 3701 to 3720 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
DB04165 mol2, pdbqt 131,83 -2,045 143,229 1,7934 2 1 0 0,63484 0,785248313352427 BBB+ HIA+ Caco2+
DB04166 mol2, pdbqt 105,88 -1,705 137,138 0,4674 3 2 0 -1,5411 0,123326907715982 BBB+ HIA+ Caco2+
DB04167 mol2, pdbqt 145,36 -0,695 188,182 -1,6214 6 3 0 -13,96 0,490591867936001 BBB+ HIA- Caco2-
DB04168 mol2, pdbqt 164,04 -3,8 266,098 2,2697 4 2 0 -3,5557 0,427956775042668 BBB+ HIA+ Caco2-
DB04169 mol2, pdbqt 135,22 -2,376 192,178 -1,9136 6 4 0 1,6934 0,879903776876471 BBB+ HIA+ Caco2-
DB04170 mol2, pdbqt 189,02 1,386 343,002 -5,0231 8 4 0 -34,546 0,10078854561731 BBB+ HIA- Caco2-
DB04171 mol2, pdbqt 94,81 -0,785 117,147 -2,1561 3 2 0 -2,2318 0,541537503864894 BBB+ HIA+ Caco2-
DB04172 mol2, pdbqt 472,89 -3,659 612,837 3,4507 10 4 1 -19,363 0,246409586514934 BBB- HIA+ Caco2-
DB04173 mol2, pdbqt 117,18 0,382 180,155 -2,7731 6 5 0 -2,5558 0,317426477341444 BBB+ HIA- Caco2-
DB04174 mol2, pdbqt 477,35 3,152 775,394 -12,433 26 11 3 -31,729 0,258815050560098 BBB- HIA- Caco2-
DB04175 mol2, pdbqt 203,99 -3,898 302,112 2,3877 5 3 0 1,0928 0,707800900459106 BBB+ HIA+ Caco2-
DB04176 mol2, pdbqt 237,51 -0,321 360,258 -3,6176 10 4 0 -20,508 0,458462555575408 BBB+ HIA- Caco2-
DB04177 mol2, pdbqt 267,01 -4,268 374,519 2,9224 4 2 0 -0,6069 0,486455395976292 BBB+ HIA+ Caco2+
DB04178 mol2, pdbqt 705,33 -7,434 791,164 10,974 9 1 2 -55,843 6,97062988620589E-02 BBB+ HIA- Caco2-
DB04179 mol2, pdbqt 97,55 -2,775 118,135 2,1112 1 0 0 -2,2956 0,181040530310836 BBB+ HIA+ Caco2+
DB04180 mol2, pdbqt 225,79 -3,471 326,322 1,4821 5 2 0 2,0331 0,799043750802889 BBB+ HIA+ Caco2-
DB04182 mol2, pdbqt 192,95 -0,44 267,301 -4,5506 7 5 0 -11,098 0,289825316231456 BBB- HIA+ Caco2-
DB04183 mol2, pdbqt 86,46 -0,364 118,088 -0,9027 4 2 0 -4,189 0,501790521813494 BBB+ HIA+ Caco2-
DB04185 mol2, pdbqt 98,4 -0,946 117,147 -2,0823 3 2 0 -12,394 0,493050030460753 BBB+ HIA+ Caco2-
DB04186 mol2, pdbqt 227,28 -3,711 308,34 2,3544 6 2 0 4,4488 0,818383565205388 BBB+ HIA+ Caco2-
Page 
 of 344
Records 3701 to 3720 of 6870
These data are only available for scientific research purposes.