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Records 124601 to 124620 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446152 50446152.mol2, BDB-kin50446152.pdbqt 265,06 70,14 -5,075 337,422 2,9569 5 1 0 1,597 0,599567728107652
50446153 50446153.mol2, BDB-kin50446153.pdbqt 213 107,02 -4,281 282,302 1,1892 6 3 0 3,3623 0,785496036410517
50446154 50446154.mol2, BDB-kin50446154.pdbqt 271,93 86,93 -5,788 348,449 3,028 5 2 0 0,14107 0,439988052672304
50446155 50446155.mol2, BDB-kin50446155.pdbqt 236,32 99,82 -4,15 309,372 1,5073 6 2 0 3,3417 0,785477800979421
50446156 50446156.mol2, BDB-kin50446156.pdbqt 234,41 141,63 -4,427 313,364 -0,0151 8 4 0 3,6383 0,767743224958932
50446157 50446157.mol2, BDB-kin50446157.pdbqt 280,73 90,17 -4,401 363,464 1,9734 6 2 0 9,0019 0,738275926928081
50446158 50446158.mol2, BDB-kin50446158.pdbqt 302,99 99,4 -4,419 393,489 1,9034 7 2 0 8,9495 0,715393093545378
50446159 50446159.mol2, BDB-kin50446159.pdbqt 269,63 98,96 -4,763 349,437 1,7205 6 3 0 5,29 0,709593760521478
50446160 50446160.mol2, BDB-kin50446160.pdbqt 243,71 113,23 -4,506 326,355 0,9381 7 2 0 1,0818 0,663087319806385
50446161 50446161.mol2, BDB-kin50446161.pdbqt 237,78 104,75 -4,02 312,376 0,4795 7 2 0 4,5381 0,813684906782391
50446162 50446162.mol2, BDB-kin50446162.pdbqt 266,97 90,17 -3,886 349,437 2,2171 6 2 0 9,4607 0,79087563784911
50446163 50446163.mol2, BDB-kin50446163.pdbqt 246,3 130,77 -4,621 327,391 0,1536 8 3 0 3,7921 0,741034062090928
50446164 50446164.mol2, BDB-kin50446164.pdbqt 224,24 107,16 -3,955 296,329 0,7572 6 3 0 4,7467 0,825682418152917
50446165 50446165.mol2, BDB-kin50446165.pdbqt 251,32 86,93 -5,069 322,411 2,9224 5 2 0 1,7013 0,611829768789009
50446166 50446166.mol2, BDB-kin50446166.pdbqt 258,17 86,93 -5,273 334,422 3,2717 5 2 0 -0,84944 0,404272446436327
50446167 50446167.mol2, BDB-kin50446167.pdbqt 316,75 99,4 -4,719 407,516 2,3097 7 2 0 7,5082 0,665574731617684
50446168 50446168.mol2, BDB-kin50446168.pdbqt 236,32 99,82 -4,458 309,372 1,4163 6 2 0 3,3417 0,452934788842845
50446169 50446169.mol2, BDB-kin50446169.pdbqt 241,15 86,93 -4,892 308,384 2,3566 5 2 0 1,2805 0,627889810940894
50446170 50446170.mol2, BDB-kin50446170.pdbqt 216,39 86,93 -4,462 280,33 1,6839 5 2 0 4,5418 0,770518674150957
50446171 50446171.mol2, BDB-kin50446171.pdbqt 287,34 96,16 -5,946 366,463 3,0854 6 2 0 2,9712 0,535189645214449
These data are only available for scientific research purposes.