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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443635 50443635.mol2, BDB-kin50443635.pdbqt 292,63 135,03 -6,024 435,294 2,2091 8 3 0 3,0853 0,18210240315595
50443636 50443636.mol2, BDB-kin50443636.pdbqt 292,63 135,03 -6,024 435,294 2,2091 8 3 0 2,9896 0,504759119284966
50443637 50443637.mol2, BDB-kin50443637.pdbqt 328,95 107,2 -4,028 410,472 1,2639 8 3 0 -14,153 0,223251204970857
50443638 50443638.mol2, BDB-kin50443638.pdbqt 386,73 134,89 -4,66 498,534 1,2828 11 3 1 -14,164 0,105974228641374
50443639 50443639.mol2, BDB-kin50443639.pdbqt 349,21 125,66 -4,739 454,481 1,3753 10 3 0 -14,164 0,113520594753703
50443640 50443640.mol2, BDB-kin50443640.pdbqt 130,93 64,71 0,112 149,189 -1,459 4 2 0 -25,753 0,237344999687495
50443641 50443641.mol2, BDB-kin50443641.pdbqt 207,87 53,49 -4,299 263,299 2,4371 4 2 0 3,1085 0,76544133534477
50443642 50443642.mol2, BDB-kin50443642.pdbqt 244,92 63,84 -6,649 320,326 3,565 5 1 0 -0,070802 0,221261951984952
50443643 50443643.mol2, BDB-kin50443643.pdbqt 238,57 63,84 -5,81 302,336 3,1128 5 1 0 1,2692 0,312421817599347
50443644 50443644.mol2, BDB-kin50443644.pdbqt 264,86 92,52 -6,519 368,346 2,3976 7 2 0 1,1648 0,165203658552585
50443645 50443645.mol2, BDB-kin50443645.pdbqt 264,86 92,52 -7,044 368,346 2,749 7 2 0 1,1648 0,153983149706897
50443961 50443961.mol2, BDB-kin50443961.pdbqt 346,5 108,07 -4,945 460,601 2,8774 9 2 0 -5,1173 0,111806145774461
50443962 50443962.mol2, BDB-kin50443962.pdbqt 381,1 108,07 -5,921 510,661 3,8429 9 2 1 -5,105 8,01857915428357E-02
50443963 50443963.mol2, BDB-kin50443963.pdbqt 360,36 108,93 -5,578 490,586 3,2985 9 1 0 0,40587 0,147249728464224
50443964 50443964.mol2, BDB-kin50443964.pdbqt 361,6 96,04 -6,373 489,598 4,2994 8 1 0 -0,19757 0,106921302410803
50443646 50443646.mol2, BDB-kin50443646.pdbqt 258,51 92,52 -6,266 350,356 2,384 7 2 0 1,1648 0,173587319714912
50443647 50443647.mol2, BDB-kin50443647.pdbqt 258,51 92,52 -5,68 350,356 1,9454 7 2 0 1,1648 0,192411627812796
50443648 50443648.mol2, BDB-kin50443648.pdbqt 258,51 92,52 -6,205 350,356 2,2968 7 2 0 1,1648 0,175585080198146
50443649 50443649.mol2, BDB-kin50443649.pdbqt 259,75 79,63 -6,475 349,368 2,9463 6 2 0 1,1648 0,164930850156069
50443650 50443650.mol2, BDB-kin50443650.pdbqt 253,4 79,63 -6,161 331,378 2,8455 6 2 0 2,5048 0,191491879963278
These data are only available for scientific research purposes.