• Drug Bank
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 of 344
Records 4621 to 4640 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
DB06940 mol2, pdbqt 298,47 -4,567 382,423 1,3067 9 3 0 6,3652 0,429074470884022 BBB+ HIA+ Caco2-
DB06941 mol2, pdbqt 225,67 -2,043 277,395 0,7788 5 1 0 2,4945 0,259547121285784 BBB+ HIA+ Caco2+
DB06942 mol2, pdbqt 300,67 -2,617 378,474 1,7169 6 3 0 6,7238 0,851192251505757 BBB+ HIA+ Caco2-
DB06943 mol2, pdbqt 234,1 -4,528 311,425 2,3902 4 0 0 -2,4017 0,402613870046614 BBB+ HIA+ Caco2-
DB06944 mol2, pdbqt 225,44 -4,778 291,353 3,4094 4 2 0 3,9761 0,678599659748722 BBB+ HIA+ Caco2-
DB06945 mol2, pdbqt 298,57 -5,475 445,413 2,1361 7 2 0 -7,1672 0,279219630006294 BBB+ HIA+ Caco2-
DB06946 mol2, pdbqt 141,41 -1,231 200,164 -0,3939 4 3 0 -0,37593 0,684799378550533 BBB+ HIA+ Caco2+
DB06947 mol2, pdbqt 260,43 -1,429 331,418 -0,6902 7 4 0 5,6094 0,925458700077399 BBB+ HIA+ Caco2-
DB06948 mol2, pdbqt 256,49 -5,686 323,399 3,9106 6 2 0 -4,7555 0,080190147571353 BBB+ HIA+ Caco2-
DB06949 mol2, pdbqt 271,55 -6,403 464,112 5,155 5 3 1 2,6304 0,203673933013224 BBB+ HIA+ Caco2+
DB06950 mol2, pdbqt 252,37 -5,533 448,497 4,5666 5 3 0 2,6398 0,263248408778087 BBB+ HIA+ Caco2+
DB06951 mol2, pdbqt 224,78 -1,841 315,345 0,469 7 3 0 -8,123 0,463388556828353 BBB+ HIA+ Caco2-
DB06952 mol2, pdbqt 137,12 -1,924 192,17 0,7011 4 2 0 -0,22152 0,69324062463727 BBB+ HIA+ Caco2-
DB06953 mol2, pdbqt 362,04 -6,809 474,35 4,664 6 0 0 -1,4896 0,210674494987814 BBB+ HIA+ Caco2+
DB06954 mol2, pdbqt 255,47 -5,196 371,477 2,488 6 1 0 -4,3751 0,322375059805661 BBB+ HIA+ Caco2-
DB06955 mol2, pdbqt 309,73 -7,408 454,268 4,0695 7 5 0 2,3145 0,290069064460973 BBB+ HIA+ Caco2-
DB06956 mol2, pdbqt 268,45 -4,307 371,779 2,2367 7 4 0 4,6351 0,440158825367207 BBB+ HIA+ Caco2-
DB06957 mol2, pdbqt 325,97 -3,456 462,957 1,4165 8 3 0 7,5196 0,72376122573291 BBB- HIA+ Caco2-
DB06958 mol2, pdbqt 268 -2,407 365,82 0,6426 8 5 0 7,3235 0,878933309200559 BBB- HIA+ Caco2-
DB06959 mol2, pdbqt 307,2 -5,596 394,477 3,6053 5 1 0 -0,10513 0,40028136403477 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4621 to 4640 of 6870
These data are only available for scientific research purposes.