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Records 3081 to 3100 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50306631 BDB-kin50308143.mol2, BDB-kin50308143.pdbqt 368,17 106,43 -6,406 491,594 2,6304 10 2 0 5,8947 0,436249788707806
50306632 BDB-kin50308144.mol2, BDB-kin50308144.pdbqt 388,34 115,66 -6,217 521,62 2,6474 11 2 2 -4,8566 0,21248672037367
50306633 BDB-kin50308145.mol2, BDB-kin50308145.pdbqt 377,84 115,66 -6,363 519,604 2,208 11 2 2 -0,3409 0,298167609355528
50306634 BDB-kin50308146.mol2, BDB-kin50308146.pdbqt 391,6 115,66 -6,633 533,631 2,55 11 2 2 5,6024 0,390431484481236
50306635 BDB-kin50308147.mol2, BDB-kin50308147.pdbqt 391,6 115,66 -6,663 533,631 2,6143 11 2 2 -0,81433 0,254077805100956
50306636 BDB-kin50308148.mol2, BDB-kin50308148.pdbqt 399,45 115,66 -6,738 551,621 2,3887 11 2 2 -2,3417 0,20377553997301
50306637 BDB-kin50308149.mol2, BDB-kin50308149.pdbqt 392,1 115,66 -7,127 545,642 2,7377 11 2 2 -0,85873 0,186937667253669
50306638 BDB-kin50308150.mol2, BDB-kin50308150.pdbqt 425,34 115,66 -7,87 581,675 3,9167 11 2 2 -1,2974 0,177877252423977
50306639 BDB-kin50308151.mol2, BDB-kin50308151.pdbqt 424,1 128,55 -7,075 582,663 2,9158 12 2 2 -1,2974 0,202554229330216
50306640 BDB-kin50308152.mol2, BDB-kin50308152.pdbqt 424,1 128,55 -7,075 582,663 2,9158 12 2 2 -1,2974 0,202554229330216
50306682 BDB-kin50308153.mol2, BDB-kin50308153.pdbqt 325,47 77,99 -5,264 450,344 3,5382 6 2 0 3,1708 0,523528594869751
50308060 BDB-kin50308154.mol2, BDB-kin50308154.pdbqt 288,33 88,65 -6,38 439,47 3,9394 7 3 0 0,40422 0,350324879011418
50308135 BDB-kin50308155.mol2, BDB-kin50308155.pdbqt 470,32 128,29 -5,74 615,737 3,0405 13 2 2 5,6082 4,81569932003397E-02
50308136 BDB-kin50308156.mol2, BDB-kin50308156.pdbqt 487,34 128,29 -6,426 641,774 3,8315 13 2 2 4,7165 3,91766723550046E-02
50308137 BDB-kin50308767.mol2, BDB-kin50308767.pdbqt 501,1 128,29 -6,696 655,801 4,1735 13 2 2 2,346 3,43931657579517E-02
50308138 BDB-kin50308768.mol2, BDB-kin50308768.pdbqt 359,25 107,98 -5,091 468,56 1,0985 11 2 1 0,91595 0,064712880004722
50308140 BDB-kin50308769.mol2, BDB-kin50308769.pdbqt 353,41 104,74 -5,91 461,524 2,8341 10 2 0 1,7979 5,92832953252227E-02
50308141 BDB-kin50308770.mol2, BDB-kin50308770.pdbqt 319,67 104,74 -4,703 413,48 1,5317 10 2 0 2,3536 8,35155992040672E-02
50308142 BDB-kin50308771.mol2, BDB-kin50308771.pdbqt 305,91 104,74 -4,403 399,454 1,1254 10 2 0 2,9427 0,091022011122577
50308143 BDB-kin50308772.mol2, BDB-kin50308772.pdbqt 359,76 104,74 -6,224 479,514 2,9349 10 2 0 0,45793 4,72325709943098E-02
These data are only available for scientific research purposes.