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Records 3721 to 3740 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50355499 BDB-kin50361642.mol2, BDB-kin50361642.pdbqt 369,19 105,12 -3,072 460,58 2,551 8 2 0 -3,2994 0,376264780707369
50355500 BDB-kin50361643.mol2, BDB-kin50361643.pdbqt 389,93 104,86 -7,19 543,612 4,211 7 1 1 2,2487 0,30336819543124
50355501 BDB-kin50361644.mol2, BDB-kin50361644.pdbqt 244,68 83,18 -3,921 306,372 1,6767 6 1 0 -5,579 0,411394880061658
50355504 BDB-kin50361648.mol2, BDB-kin50361648.pdbqt 471,28 111,25 -6,862 634,678 3,6921 10 2 1 2,5805 0,102614068298326
50357645 BDB-kin50361649.mol2, BDB-kin50361649.pdbqt 348,55 92,8 -5,862 498,965 3,4062 7 1 0 0,30336 0,210868409884236
50357650 BDB-kin50361650.mol2, BDB-kin50361650.pdbqt 384,63 99,7 -5,667 541,049 3,7542 8 1 1 3,5755 0,404600537409374
50357651 BDB-kin50361651.mol2, BDB-kin50361651.pdbqt 421,13 99,7 -5,892 589,093 3,9328 8 1 1 3,873 0,209818103739084
50357652 BDB-kin50361652.mol2, BDB-kin50361652.pdbqt 345,23 93,22 -7,05 490,945 4,3955 6 1 0 -0,1955 0,25411235332157
50357653 BDB-kin50362403.mol2, BDB-kin50362403.pdbqt 345,23 93,22 -7,05 490,945 4,3955 6 1 0 -1,0715 0,219765281151004
50357658 BDB-kin50362404.mol2, BDB-kin50362404.pdbqt 347,31 105,69 -5,487 499,953 2,8792 8 1 0 0,30336 0,385978407159165
50357672 BDB-kin50362405.mol2, BDB-kin50362405.pdbqt 386,29 117,72 -4,934 543,022 2,526 9 2 1 1,5194 0,455638734740888
50358204 BDB-kin50362406.mol2, BDB-kin50362406.pdbqt 365,98 162,07 -3,552 498,61 0,467 11 2 1 6,2961 0,676279355668654
50358205 BDB-kin50362407.mol2, BDB-kin50362407.pdbqt 357,15 167,86 -3,25 483,599 -0,2901 11 2 1 6,9799 0,715058271756895
50358206 BDB-kin50362408.mol2, BDB-kin50362408.pdbqt 368,15 167,86 -3,628 497,626 0,0692 11 2 1 6,3228 0,674306716185248
50358207 BDB-kin50362902.mol2, BDB-kin50362902.pdbqt 378,32 167,86 -3,737 511,653 0,4498 11 2 2 6,6184 0,647961232919716
50358208 BDB-kin50362903.mol2, BDB-kin50362903.pdbqt 365,98 162,07 -3,552 498,61 0,467 11 2 1 6,2961 0,676279355668654
50358209 BDB-kin50362904.mol2, BDB-kin50362904.pdbqt 376,15 162,07 -3,661 512,637 0,8476 11 2 2 6,3781 0,649544146913978
50360024 BDB-kin50362905.mol2, BDB-kin50362905.pdbqt 290,57 145,03 -3,515 398,402 -0,0957 10 0 0 -7,4968 0,320860135421885
50360063 BDB-kin50362906.mol2, BDB-kin50362906.pdbqt 312,18 165,26 -3,308 428,428 -0,6161 11 1 1 -7,4611 0,313620643387325
50361642 BDB-kin50362907.mol2, BDB-kin50362907.pdbqt 361,58 131,92 -5,061 488,525 1,6116 10 2 0 3,3075 0,550348075003244
These data are only available for scientific research purposes.