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Records 123481 to 123500 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439923 50439923.mol2, BDB-kin50439923.pdbqt 416,93 117,37 -8,028 557,669 4,4338 8 2 1 3,6996 0,101589294816595
50439924 50439924.mol2, BDB-kin50439924.pdbqt 364,21 122,13 -8,191 499,59 4,1748 7 2 0 3,7087 0,117629730990586
50439925 50439925.mol2, BDB-kin50439925.pdbqt 425,67 121,03 -8,365 576,675 4,4891 8 2 1 3,7533 9,59891217023223E-02
50439926 50439926.mol2, BDB-kin50439926.pdbqt 440,59 102,59 -7,168 584,739 4,4926 8 1 1 5,3051 0,101748564592235
50439927 50439927.mol2, BDB-kin50439927.pdbqt 437,3 100,74 -7,303 585,723 4,3733 8 1 1 3,5941 0,28073685482042
50439928 50439928.mol2, BDB-kin50439928.pdbqt 462,59 115,48 -8,619 631,755 5,2625 9 1 2 6,3104 4,64905585536953E-02
50439929 50439929.mol2, BDB-kin50439929.pdbqt 403,17 117,37 -7,758 543,642 3,9794 8 2 1 3,7102 0,112156034260575
50439930 50439930.mol2, BDB-kin50439930.pdbqt 434,44 140,48 -7,867 597,694 3,6107 10 3 1 5,4248 0,105336877700833
50439931 50439931.mol2, BDB-kin50439931.pdbqt 410,88 82,72 -7,02 555,697 5,0494 7 0 2 7,3784 0,278042765535984
50439932 50439932.mol2, BDB-kin50439932.pdbqt 431,19 117,37 -8,792 583,707 4,8261 8 2 1 2,5351 8,67059432194005E-02
50439933 50439933.mol2, BDB-kin50439933.pdbqt 446,51 111,38 -8,216 596,75 4,9047 8 2 1 2,8492 8,57866962671709E-02
50439934 50439934.mol2, BDB-kin50439934.pdbqt 424,31 105,78 -8,256 584,691 5,2398 8 0 2 4,4454 0,187980126211249
50439935 50439935.mol2, BDB-kin50439935.pdbqt 424,55 151,87 -7,569 588,635 3,3454 10 2 1 3,3907 0,304463972854495
50439936 50439936.mol2, BDB-kin50439936.pdbqt 475,46 132,05 -6,758 642,775 3,8039 10 2 1 4,7545 6,28427137877815E-02
50439937 50439937.mol2, BDB-kin50439937.pdbqt 419,97 139,81 -7,061 573,668 3,2976 9 3 1 1,7082 0,066184448133406
50439938 50439938.mol2, BDB-kin50439938.pdbqt 456,51 120,61 -7,597 612,749 4,1951 9 2 1 4,6605 9,76245013951581E-02
50439939 50439939.mol2, BDB-kin50439939.pdbqt 448,2 140,48 -8,137 611,721 4,0651 10 3 1 5,4165 9,70168867613912E-02
50439940 50439940.mol2, BDB-kin50439940.pdbqt 497,82 131,69 -7,429 667,829 4,0171 10 2 1 8,4609 0,056356758508854
50439941 50439941.mol2, BDB-kin50439941.pdbqt 453,85 111,82 -6,965 612,749 4,3243 9 1 1 6,4934 6,07220129973113E-02
50439942 50439942.mol2, BDB-kin50439942.pdbqt 426,83 102,59 -6,898 570,712 4,0382 8 1 1 4,7129 0,113434659413889
These data are only available for scientific research purposes.