• Drug Bank
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Records 1901 to 1920 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
DB02220 mol2, pdbqt 263,68 -2,703 403,503 0,6632 8 2 0 4,8502 0,831590447513672 BBB+ HIA+ Caco2-
DB02221 mol2, pdbqt 232,14 -3,785 344,312 1,5829 5 2 0 2,0261 0,765877810974981 BBB+ HIA+ Caco2-
DB02222 mol2, pdbqt 212,73 -1,996 300,214 -6,5013 10 2 0 -2,0975 0,51898968189182 BBB+ HIA+ Caco2-
DB02223 mol2, pdbqt 595,45 -3,779 814,759 -1,8177 23 13 3 -7,7079 0,226464898040586 BBB+ HIA+ Caco2-
DB02224 mol2, pdbqt 204,02 -1,945 304,253 0,9579 7 5 0 0,44477 0,745824458716763 BBB- HIA+ Caco2-
DB02225 mol2, pdbqt 372,04 1,882 458,599 2,1799 7 0 0 -15,218 6,80526919463726E-02 BBB+ HIA- Caco2-
DB02226 mol2, pdbqt 523,35 -9,34 661,875 7,4943 8 3 2 -6,0911 0,027664861958695 BBB+ HIA+ Caco2-
DB02227 mol2, pdbqt 111,82 -0,316 162,14 -1,7678 5 3 0 -4,4927 0,498641684868664 BBB+ HIA+ Caco2-
DB02228 mol2, pdbqt 118,01 -0,331 182,146 -1,9197 5 4 0 -2,6788 0,523672064987563 BBB+ HIA- Caco2-
DB02229 mol2, pdbqt 320,87 -3,094 479,538 -3,5283 14 6 2 -1,8784 0,330690659674973 BBB- HIA+ Caco2-
DB02230 mol2, pdbqt 191,19 -0,201 281,271 -3,2512 9 8 1 3,0854 0,941116482726879 BBB+ HIA+ Caco2-
DB02232 mol2, pdbqt 85,96 -1,024 110,112 0,9682 2 2 0 -2,2721 0,115452571530189 BBB+ HIA+ Caco2+
DB02233 mol2, pdbqt 120,01 -0,709 147,173 -2,5546 4 3 0 -25,14 0,295767858616838 BBB+ HIA+ Caco2-
DB02234 mol2, pdbqt 85,84 -0,755 104,177 0,0118 2 2 0 -0,76417 0,649203154239527 BBB+ HIA+ Caco2-
DB02235 mol2, pdbqt 121,12 0,032 165,212 -4,3006 4 2 0 -14,296 0,493951092328954 BBB+ HIA+ Caco2-
DB02236 mol2, pdbqt 184,42 1,859 286,176 -8,3954 10 6 1 -22,764 0,481905190576323 BBB- HIA- Caco2-
DB02237 mol2, pdbqt 433,98 1,231 666,576 -8,8694 21 14 3 -13,368 0,279554869799661 BBB- HIA- Caco2-
DB02238 mol2, pdbqt 112,62 -1,026 148,182 -0,2941 3 1 0 -9,869 0,490602430495484 BBB+ HIA+ Caco2+
DB02239 mol2, pdbqt 95,13 -0,921 116,116 0,0111 3 1 0 -3,5755 0,303067531110508 BBB+ HIA+ Caco2+
DB02240 mol2, pdbqt 352,58 -6,38 468,854 5,7146 4 1 1 5,2875 6,84302407696583E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 1901 to 1920 of 6870
These data are only available for scientific research purposes.