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Records 4041 to 4060 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50396818 BDB-kin50400343.mol2, BDB-kin50400343.pdbqt 385,34 160,73 -4,749 531,615 1,9966 12 2 2 4,3268 0,319692019507537
50396819 BDB-kin50400344.mol2, BDB-kin50400344.pdbqt 386,17 160,73 -4,713 531,615 1,7348 12 2 2 3,9536 0,322285982196507
50396820 BDB-kin50400345.mol2, BDB-kin50400345.pdbqt 386,17 160,73 -4,713 531,615 1,7348 12 2 2 3,9536 0,322285982196507
50396821 BDB-kin50400346.mol2, BDB-kin50400346.pdbqt 386,17 160,73 -4,713 531,615 1,7348 12 2 2 3,9536 0,322285982196507
50396822 BDB-kin50400347.mol2, BDB-kin50400347.pdbqt 386,17 160,73 -4,713 531,615 1,7348 12 2 2 3,9536 0,322285982196507
50398397 BDB-kin50400348.mol2, BDB-kin50400348.pdbqt 286,65 127,52 -4,508 398,49 1,5939 8 1 0 0,021606 0,531620978927616
50398398 BDB-kin50400349.mol2, BDB-kin50400349.pdbqt 287,91 127,52 -4,818 398,49 1,7687 8 1 0 0,075729 0,509971384681498
50398399 BDB-kin50400350.mol2, BDB-kin50400350.pdbqt 297,91 136,75 -4,28 414,489 0,9807 9 1 0 2,3585 0,688491398552762
50398400 BDB-kin50400351.mol2, BDB-kin50400351.pdbqt 286,15 127,52 -4,469 386,479 1,6363 8 1 0 -1,3216 0,261317572385919
50400333 BDB-kin50400352.mol2, BDB-kin50400352.pdbqt 367,38 121,54 -5,799 478,555 1,9764 11 2 1 4,0685 0,297727549178347
50400334 BDB-kin50400353.mol2, BDB-kin50400353.pdbqt 373,63 136,64 -4,603 494,622 2,98 10 2 0 3,633 0,3377214779243
50400335 BDB-kin50400354.mol2, BDB-kin50400354.pdbqt 365,43 108,4 -5,595 474,567 1,713 10 2 0 3,2146 0,514223128892099
50400336 BDB-kin50400355.mol2, BDB-kin50400355.pdbqt 365,43 108,4 -5,251 474,567 1,541 10 2 0 3,2146 0,546897013687858
50400337 BDB-kin50400356.mol2, BDB-kin50400356.pdbqt 379,19 108,4 -5,853 488,594 2,4521 10 2 0 2,8616 0,373670328936305
50400338 BDB-kin50400357.mol2, BDB-kin50400357.pdbqt 365,43 108,4 -5,583 474,567 1,9977 10 2 0 3,2146 0,512302680292609
50400339 BDB-kin50400358.mol2, BDB-kin50400358.pdbqt 354,43 108,4 -5,205 460,54 1,673 10 2 0 2,5482 0,554432588532931
50400340 BDB-kin50400359.mol2, BDB-kin50400359.pdbqt 373,2 96,89 -5,681 487,558 3,3462 9 1 0 -7,4967 0,236245307117268
50400341 BDB-kin50401152.mol2, BDB-kin50401152.pdbqt 373,2 96,89 -5,503 487,558 3,155 9 1 0 -5,4183 0,247605535602334
50400342 BDB-kin50401249.mol2, BDB-kin50401249.pdbqt 374,66 99,69 -5,545 486,574 2,872 9 2 0 3,5477 0,491392405251251
50400343 BDB-kin50401252.mol2, BDB-kin50401252.pdbqt 337,16 108,92 -4,69 440,502 1,6314 10 2 0 -0,17162 0,472050299290142
These data are only available for scientific research purposes.