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Records 123401 to 123420 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439768 50439768.mol2, BDB-kin50439768.pdbqt 470,73 143,13 -8,699 616,648 4,307 12 2 2 -2,2037 0,140491549416403
50439769 50439769.mol2, BDB-kin50439769.pdbqt 470,73 143,13 -8,699 616,648 4,307 12 2 2 -2,2037 0,140491549416403
50439770 50439770.mol2, BDB-kin50439770.pdbqt 468,77 121,1 -9,012 596,661 5,9907 10 2 2 -1,4289 0,119480778304538
50439771 50439771.mol2, BDB-kin50439771.pdbqt 476,52 97,31 -9,017 639,648 7,0034 9 2 2 -2,9989 0,086295589587993
50439772 50439772.mol2, BDB-kin50439772.pdbqt 470,76 97,31 -9,027 621,658 6,626 9 2 2 6,2181 0,17583540733649
50439773 50439773.mol2, BDB-kin50439773.pdbqt 464,41 97,31 -8,713 603,668 6,5252 9 2 2 6,2181 0,184413714379232
50439774 50439774.mol2, BDB-kin50439774.pdbqt 459,76 97,31 -8,867 607,631 6,3567 9 2 2 2,8511 0,181712976724669
50439775 50439775.mol2, BDB-kin50439775.pdbqt 453,41 97,31 -8,553 589,641 6,2559 9 2 2 2,8511 0,191503290826411
50439776 50439776.mol2, BDB-kin50439776.pdbqt 459,76 97,31 -8,867 607,631 6,3567 9 2 2 2,8511 0,181712976724669
50439777 50439777.mol2, BDB-kin50439777.pdbqt 439,65 97,31 -8,283 575,614 5,9139 9 2 2 3,7929 0,212126502740885
50439778 50439778.mol2, BDB-kin50439778.pdbqt 433,3 97,31 -7,969 557,624 5,8131 9 2 2 3,7929 0,226058913042095
50439779 50439779.mol2, BDB-kin50439779.pdbqt 473,48 97,31 -9,135 620,123 7,0304 9 2 2 6,2554 0,168651773428376
50439780 50439780.mol2, BDB-kin50439780.pdbqt 464,41 97,31 -8,713 603,668 6,5252 9 2 2 6,2181 0,184413714379232
50439781 50439781.mol2, BDB-kin50439781.pdbqt 458,06 97,31 -8,399 585,678 6,4244 9 2 2 6,2181 0,194467057628887
50439782 50439782.mol2, BDB-kin50439782.pdbqt 462,48 97,31 -8,975 606,096 6,7611 9 2 2 2,8821 0,1731822925239
50439783 50439783.mol2, BDB-kin50439783.pdbqt 447,06 97,31 -8,239 571,651 6,1551 9 2 2 2,8511 0,202908043858201
50439784 50439784.mol2, BDB-kin50439784.pdbqt 453,41 97,31 -8,553 589,641 6,2559 9 2 2 2,8511 0,191503290826411
50439785 50439785.mol2, BDB-kin50439785.pdbqt 472,76 106,54 -8,128 641,62 5,8394 10 2 2 -2,2564 0,107145672141264
50439786 50439786.mol2, BDB-kin50439786.pdbqt 485,85 115,77 -8,373 657,619 7,0806 11 2 3 3,5936 0,160114029853264
50439787 50439787.mol2, BDB-kin50439787.pdbqt 449,65 106,54 -7,664 591,613 5,0919 10 2 2 3,5936 0,242502706034806
These data are only available for scientific research purposes.