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Records 125001 to 125020 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448078 50448078.mol2, BDB-kin50448078.pdbqt 409,36 135,36 -8,447 577,611 4,5116 9 2 1 2,7485 0,259653737976298
50448079 50448079.mol2, BDB-kin50448079.pdbqt 384,6 135,36 -7,92 549,557 3,6685 9 2 1 2,7721 0,309634653680146
50448080 50448080.mol2, BDB-kin50448080.pdbqt 401,8 135,36 -8,354 603,527 4,1729 9 2 1 -4,8923 0,135106624352226
50448081 50448081.mol2, BDB-kin50448081.pdbqt 401,8 135,36 -8,354 603,527 4,1729 9 2 1 -2,789 0,141875478194273
50448082 50448082.mol2, BDB-kin50448082.pdbqt 376,62 144,59 -6,416 543,55 2,2211 10 2 1 -0,77864 0,261652876963048
50448083 50448083.mol2, BDB-kin50448083.pdbqt 338,6 135,36 -6,031 487,486 2,2357 9 2 0 3,4103 0,463495254105881
50448084 50448084.mol2, BDB-kin50448084.pdbqt 372,34 135,36 -7,576 535,53 3,3246 9 2 1 3,1998 0,337224100316306
50448085 50448085.mol2, BDB-kin50448085.pdbqt 358,4 148,25 -6,153 500,538 2,1221 10 2 1 4,8194 0,450299429498233
50448086 50448086.mol2, BDB-kin50448086.pdbqt 381,35 159,15 -7,721 524,56 2,9586 10 2 1 -1,2861 0,217132169582189
50448087 50448087.mol2, BDB-kin50448087.pdbqt 371,9 135,36 -7,292 513,577 3,4669 9 2 1 -1,4113 0,217060052501504
50448088 50448088.mol2, BDB-kin50448088.pdbqt 371,9 135,36 -7,292 513,577 3,4669 9 2 1 1,0856 0,317152640432496
50448091 50448091.mol2, BDB-kin50448091.pdbqt 336,9 135,36 -7,13 465,533 2,776 9 2 0 4,6493 0,419405638095452
50448092 50448092.mol2, BDB-kin50448092.pdbqt 312,14 135,36 -6,702 437,479 1,8726 9 2 0 5,4075 0,473312830591015
50448093 50448093.mol2, BDB-kin50448093.pdbqt 383,44 126,57 -7,686 549,557 3,2298 9 1 1 3,9577 0,331148785865775
50448094 50448094.mol2, BDB-kin50448094.pdbqt 358,6 152,15 -7,634 520,519 2,7173 9 3 1 3,133 0,358374557453687
50448095 50448095.mol2, BDB-kin50448095.pdbqt 373,58 122,47 -7,846 534,542 3,9741 8 2 1 4,4269 0,114520133710558
50448096 50448096.mol2, BDB-kin50448096.pdbqt 372,34 135,36 -7,576 535,53 3,3246 9 2 1 3,1998 0,337224100316306
50448097 50448097.mol2, BDB-kin50448097.pdbqt 366,94 128,47 -7,596 519,531 3,9619 8 2 1 -0,54255 0,229093913225652
50448098 50448098.mol2, BDB-kin50448098.pdbqt 366,94 128,47 -7,596 519,531 3,9619 8 2 1 -0,71675 0,222479456918088
50448099 50448099.mol2, BDB-kin50448099.pdbqt 366,94 128,47 -7,701 519,531 3,8394 8 2 1 -0,71675 0,224051207699318
These data are only available for scientific research purposes.