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Records 3681 to 3700 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50347076 BDB-kin50351947.mol2, BDB-kin50351947.pdbqt 362,51 107,19 -5,972 498,002 4,7973 7 1 0 5,4582 0,296966110007771
50348452 BDB-kin50351948.mol2, BDB-kin50351948.pdbqt 351,95 93,07 -5,601 465,552 2,4865 9 1 0 1,4071 0,470640755479456
50349619 BDB-kin50351949.mol2, BDB-kin50351949.pdbqt 454,5 134,28 -5,306 590,683 2,5499 13 2 2 4,1766 0,152923637212135
50349620 BDB-kin50351950.mol2, BDB-kin50351950.pdbqt 436,16 133,84 -6,209 560,657 3,3667 12 3 2 2,1488 0,212853881178754
50349621 BDB-kin50351951.mol2, BDB-kin50351951.pdbqt 416,48 125,05 -4,891 534,619 2,5002 12 2 2 3,8996 0,304966801618847
50349622 BDB-kin50351952.mol2, BDB-kin50351952.pdbqt 405,38 133,84 -5,253 520,592 2,2337 12 3 2 5,0619 0,299973428102139
50349623 BDB-kin50351953.mol2, BDB-kin50351953.pdbqt 405,38 133,84 -5,253 520,592 2,2337 12 3 2 5,1979 0,300093176771103
50349624 BDB-kin50351954.mol2, BDB-kin50351954.pdbqt 405,98 125,05 -5,037 532,603 2,8788 12 2 2 7,5012 0,29694254631704
50349625 BDB-kin50351955.mol2, BDB-kin50351955.pdbqt 416,05 133,84 -5,886 546,63 3,2486 12 3 2 3,8836 0,242256779969668
50349626 BDB-kin50351956.mol2, BDB-kin50351956.pdbqt 430,24 134,28 -5,182 574,64 2,5865 13 2 2 7,643 0,161898783061717
50349627 BDB-kin50351957.mol2, BDB-kin50351957.pdbqt 430,74 125,05 -5,715 560,657 3,6444 12 2 2 7,0619 0,142197953333159
50349628 BDB-kin50351958.mol2, BDB-kin50351958.pdbqt 441,24 125,05 -5,569 562,673 3,2658 12 2 2 3,5121 0,14748172401629
50349629 BDB-kin50351959.mol2, BDB-kin50351959.pdbqt 430,14 133,84 -5,931 548,646 2,9993 12 3 2 4,6664 0,146756646181773
50349630 BDB-kin50351960.mol2, BDB-kin50351960.pdbqt 468,76 134,28 -6,07 616,721 3,3512 13 2 2 5,6269 0,124189947320528
50349631 BDB-kin50351961.mol2, BDB-kin50351961.pdbqt 474,18 143,07 -6,624 616,721 3,4164 13 3 2 2,492 0,110465144123891
50349632 BDB-kin50351962.mol2, BDB-kin50351962.pdbqt 460,42 143,07 -6,354 602,694 3,0744 13 3 2 3,9393 0,123312049779496
50349633 BDB-kin50355393.mol2, BDB-kin50355393.pdbqt 444 134,28 -5,452 588,667 2,9285 13 2 2 7,6487 0,148244631399112
50349634 BDB-kin50355494.mol2, BDB-kin50355494.pdbqt 415,94 147,83 -6,943 558,641 3,0397 12 3 2 3,8358 0,125145605543313
50349635 BDB-kin50355495.mol2, BDB-kin50355495.pdbqt 389,33 130,97 -3,961 518,576 1,7967 12 3 2 7,9613 0,492407448013083
50351947 BDB-kin50355496.mol2, BDB-kin50355496.pdbqt 291,17 134,59 -6,096 434,902 3,5463 6 2 0 -0,36227 0,336481193609538
These data are only available for scientific research purposes.