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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315748 BDB-kin50315911.mol2, BDB-kin50315911.pdbqt 386,15 115,66 -5,219 503,561 1,8328 11 2 2 -5,8421 0,264420112868815
50315749 BDB-kin50315912.mol2, BDB-kin50315912.pdbqt 348,67 114,27 -5,364 457,493 1,4724 10 2 0 -0,26564 0,323835523827208
50315750 BDB-kin50315913.mol2, BDB-kin50315913.pdbqt 394,73 100,44 -5,465 512,616 2,6959 10 2 1 2,485 0,37199560261184
50315751 BDB-kin50315914.mol2, BDB-kin50315914.pdbqt 408,49 100,44 -5,735 526,643 3,0379 10 2 1 1,125 0,387240920583187
50315752 BDB-kin50315915.mol2, BDB-kin50315915.pdbqt 416,69 112,47 -4,564 529,647 1,3382 11 3 2 4,1801 0,556047983248001
50315753 BDB-kin50316252.mol2, BDB-kin50316252.pdbqt 434,78 107,86 -5,663 568,68 3,396 11 2 2 8,0221 0,400495970405244
50315754 BDB-kin50316253.mol2, BDB-kin50316253.pdbqt 423,68 116,65 -6,025 554,653 3,1431 11 3 2 4,0979 0,392125578871272
50315755 BDB-kin50316254.mol2, BDB-kin50316254.pdbqt 417,29 103,68 -4,348 541,658 1,9833 11 2 2 7,0418 0,557249528363035
50315756 BDB-kin50316255.mol2, BDB-kin50316255.pdbqt 406,19 112,47 -4,71 527,631 1,7304 11 3 2 2,4541 0,420293383514621
50315757 BDB-kin50316256.mol2, BDB-kin50316256.pdbqt 349,24 117,43 -5,149 459,509 1,6847 10 3 0 2,066 0,54904181029305
50315758 BDB-kin50316257.mol2, BDB-kin50316257.pdbqt 462,48 107,86 -6,257 624,666 3,5017 11 2 2 -3,2546 0,170232290625169
50315759 BDB-kin50316258.mol2, BDB-kin50316258.pdbqt 451,38 116,65 -6,619 610,639 3,2352 11 3 2 -2,0909 0,181275026915273
50315760 BDB-kin50316259.mol2, BDB-kin50316259.pdbqt 451,98 107,86 -6,403 622,65 3,8803 11 2 2 0,34726 0,247019170413936
50315761 BDB-kin50316260.mol2, BDB-kin50316260.pdbqt 476,74 107,86 -7,021 650,704 4,303 11 2 2 -1,5303 0,156443329183204
50315762 BDB-kin50316261.mol2, BDB-kin50316261.pdbqt 434,18 116,65 -5,879 556,669 2,7509 11 3 2 5,6739 0,410753166824086
50315907 BDB-kin50316262.mol2, BDB-kin50316262.pdbqt 357,96 167,29 -4,101 504,638 0,5963 11 1 2 5,7375 0,630724759116242
50315908 BDB-kin50316263.mol2, BDB-kin50316263.pdbqt 306,12 164,05 -4,188 435,532 0,3188 10 1 0 5,4843 0,70794678779961
50315909 BDB-kin50316264.mol2, BDB-kin50316264.pdbqt 295,29 138,6 -3,768 399,478 0,6121 9 1 0 5,142 0,777824603296744
50315910 BDB-kin50316265.mol2, BDB-kin50316265.pdbqt 272,41 144,31 -4,417 371,468 0,8106 8 2 0 2,6239 0,717857604150016
50315911 BDB-kin50316266.mol2, BDB-kin50316266.pdbqt 329,56 160,81 -6,386 468,561 1,7506 9 1 0 -0,37085 0,330294838510728
These data are only available for scientific research purposes.