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Records 3441 to 3460 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50328592 BDB-kin50328611.mol2, BDB-kin50328611.pdbqt 393,31 61,36 -8,756 551,571 5,6644 6 1 2 -4,682 4,20078142192787E-02
50328593 BDB-kin50328612.mol2, BDB-kin50328612.pdbqt 401,99 92,71 -7,773 562,55 4,4886 9 1 1 -4,6862 8,59975866476949E-02
50328594 BDB-kin50328613.mol2, BDB-kin50328613.pdbqt 394,55 48,47 -9,551 550,583 6,6653 5 1 2 -4,682 4,79645010654877E-02
50328595 BDB-kin50328614.mol2, BDB-kin50328614.pdbqt 393,97 66,93 -8,127 558,559 5,4497 7 1 2 -11,82 5,78202192159416E-02
50328596 BDB-kin50328615.mol2, BDB-kin50328615.pdbqt 380,21 66,93 -8,656 544,532 5,5823 7 1 2 -4,7778 5,76927940443026E-02
50328597 BDB-kin50328616.mol2, BDB-kin50328616.pdbqt 412,25 103,02 -9,032 593,628 4,5196 8 2 1 -3,6318 4,73122259880448E-02
50328598 BDB-kin50331096.mol2, BDB-kin50331096.pdbqt 355,89 76,71 -7,845 506,551 5,2553 5 1 2 -4,1397 8,54462848834757E-02
50328599 BDB-kin50332294.mol2, BDB-kin50332294.pdbqt 391,85 58,56 -8,787 552,555 5,9304 6 0 2 -6,1938 6,63884422625012E-02
50328600 BDB-kin50333016.mol2, BDB-kin50333016.pdbqt 392,43 103,88 -6,976 547,637 4,3124 8 1 1 3,8639 0,188716145715727
50328601 BDB-kin50333017.mol2, BDB-kin50333017.pdbqt 395,67 84,58 -8,593 527,626 4,9262 7 1 1 3,12 0,103865649646726
50328602 BDB-kin50333018.mol2, BDB-kin50333018.pdbqt 388,71 52,57 -6,989 511,627 5,1144 6 0 2 7,1933 0,18108662486287
50328603 BDB-kin50333019.mol2, BDB-kin50333019.pdbqt 436,42 69,64 -9,087 619,645 6,4146 7 0 2 -0,62038 7,33303665357374E-02
50328604 BDB-kin50333020.mol2, BDB-kin50333020.pdbqt 472,24 72,88 -7,964 650,703 5,8444 8 0 2 0,29684 9,18585722009111E-02
50328605 BDB-kin50333021.mol2, BDB-kin50333021.pdbqt 498,06 76,12 -7,263 691,756 5,4684 9 0 2 2,0623 0,117015242313343
50328606 BDB-kin50333022.mol2, BDB-kin50333022.pdbqt 303,13 49,33 -5,309 394,477 3,2964 5 0 0 4,4194 0,348708500012388
50328607 BDB-kin50333023.mol2, BDB-kin50333023.pdbqt 481,92 69,64 -9,982 669,705 7,7043 7 0 2 -0,11188 3,95291204400884E-02
50328608 BDB-kin50333024.mol2, BDB-kin50333024.pdbqt 436,57 66,4 -9,112 604,63 7,0901 6 0 2 -3,6627 3,17820969783439E-02
50328609 BDB-kin50333025.mol2, BDB-kin50333025.pdbqt 487,7 78,87 -8,536 677,725 6,6628 8 0 2 -4,9338 4,97982005564424E-02
50328610 BDB-kin50333026.mol2, BDB-kin50333026.pdbqt 446,39 69,64 -8,965 621,661 6,9911 7 0 2 0,26301 7,96019235591953E-02
50328611 BDB-kin50333027.mol2, BDB-kin50333027.pdbqt 446,39 69,64 -8,57 621,661 6,6291 7 0 2 -3,3424 5,51153490565735E-02
These data are only available for scientific research purposes.