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Records 123741 to 123760 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50441911 50441911.mol2, BDB-kin50441911.pdbqt 268,49 93,01 -1,239 358,465 1,6957 6 1 0 7,7028 0,895818582652131
50441912 50441912.mol2, BDB-kin50441912.pdbqt 271,65 93,01 -1,631 378,883 1,9578 6 1 0 7,727 0,869729733771032
50441913 50441913.mol2, BDB-kin50441913.pdbqt 256,23 93,01 -0,895 344,438 1,3518 6 1 0 7,7028 0,913523268270618
50441914 50441914.mol2, BDB-kin50441914.pdbqt 250,74 75,94 -0,957 330,455 1,639 5 1 0 8,9867 0,918345149085934
50441915 50441915.mol2, BDB-kin50441915.pdbqt 253,9 75,94 -1,349 350,873 1,9011 5 1 0 9,0675 0,896855600924997
50441916 50441916.mol2, BDB-kin50441916.pdbqt 238,48 75,94 -0,613 316,428 1,2951 5 1 0 9,0592 0,933023297462956
50441917 50441917.mol2, BDB-kin50441917.pdbqt 238,18 81,93 -1,455 317,412 1,5296 5 1 0 3,7675 0,911857925307854
50441918 50441918.mol2, BDB-kin50441918.pdbqt 241,34 81,93 -1,847 337,83 1,7917 5 1 0 3,8513 0,891091449689755
50441919 50441919.mol2, BDB-kin50441919.pdbqt 225,92 81,93 -1,111 303,385 1,1857 5 1 0 3,8055 0,926827475415516
50442139 50442139.mol2, BDB-kin50442139.pdbqt 355,19 111,2 -7,426 459,616 6,1301 6 3 1 0,4085 0,130717086825583
50442140 50442140.mol2, BDB-kin50442140.pdbqt 353,95 124,09 -7,382 460,604 5,3796 7 3 1 0,4085 0,147946851388858
50442141 50442141.mol2, BDB-kin50442141.pdbqt 327,93 124,09 -6,855 432,551 4,5661 7 3 0 0,62112 0,191030811742721
50442142 50442142.mol2, BDB-kin50442142.pdbqt 350,19 133,32 -7,398 462,576 4,8475 8 3 0 0,69511 0,167750245448429
50442143 50442143.mol2, BDB-kin50442143.pdbqt 350,88 134,99 -7,696 456,573 5,2062 7 3 1 -3,6589 9,63557218630742E-02
50442144 50442144.mol2, BDB-kin50442144.pdbqt 358,63 111,2 -7,701 499,56 6,2189 6 3 1 -6,5689 7,35961939937291E-02
50442145 50442145.mol2, BDB-kin50442145.pdbqt 344,59 111,2 -7,659 466,008 5,9766 6 3 1 0,69343 0,13574520990241
50442146 50442146.mol2, BDB-kin50442146.pdbqt 341,43 111,2 -7,267 445,589 5,7145 6 3 1 0,58524 0,148369829524428
50442147 50442147.mol2, BDB-kin50442147.pdbqt 329,17 111,2 -6,923 431,563 5,3706 6 3 1 0,62112 0,166545657043407
50442148 50442148.mol2, BDB-kin50442148.pdbqt 353,69 111,2 -7,611 459,616 6,0584 6 3 1 0,58524 0,133959819701537
50442149 50442149.mol2, BDB-kin50442149.pdbqt 306,83 111,2 -6,143 395,53 4,6196 6 3 0 1,3636 0,237059028326712
These data are only available for scientific research purposes.