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Records 3781 to 3800 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50362929 BDB-kin50363167.mol2, BDB-kin50363167.pdbqt 282,44 96,03 -5,102 376,419 1,8576 8 2 0 0,92145 0,5619660683978
50362930 BDB-kin50365506.mol2, BDB-kin50365506.pdbqt 285,83 75,94 -7,502 374,447 2,7338 7 1 0 -0,53784 0,318965367193899
50362931 BDB-kin50365507.mol2, BDB-kin50365507.pdbqt 284,59 88,83 -5,122 375,435 1,9256 8 1 0 -5,225 0,328106171973443
50362932 BDB-kin50365508.mol2, BDB-kin50365508.pdbqt 286,32 84,15 -6,625 375,431 3,4338 7 1 0 -1,2867 0,293906876401458
50362933 BDB-kin50365509.mol2, BDB-kin50365509.pdbqt 286,2 86,8 -5,749 374,447 2,755 7 2 0 -0,24465 0,411475416905181
50362934 BDB-kin50365511.mol2, BDB-kin50365511.pdbqt 286,2 86,8 -6,057 374,447 2,664 7 2 0 0,58333 0,448769542300828
50362935 BDB-kin50365513.mol2, BDB-kin50365513.pdbqt 282,07 85,17 -4,244 376,419 1,116 8 1 0 2,2907 0,720161161260417
50362936 BDB-kin50365514.mol2, BDB-kin50365514.pdbqt 261,04 86,8 -5,472 348,409 2,3217 7 2 0 0,46692 0,503043926792611
50362937 BDB-kin50365517.mol2, BDB-kin50365517.pdbqt 256,04 108,92 -4,77 351,369 0,8288 9 2 0 0,33749 0,567812583488638
50362938 BDB-kin50365868.mol2, BDB-kin50365868.pdbqt 257,28 96,03 -4,72 350,381 1,5468 8 2 0 0,33749 0,568279843580983
50362939 BDB-kin50378662.mol2, BDB-kin50378662.pdbqt 261,04 86,8 -5,609 348,409 2,7108 7 2 0 -1,0066 0,380312037181777
50362940 BDB-kin50378663.mol2, BDB-kin50378663.pdbqt 265,8 122,05 -5,067 365,396 1,239 9 3 0 0,25614 0,52570713706306
50362941 BDB-kin50380313.mol2, BDB-kin50380313.pdbqt 269,56 112,82 -5,956 363,424 2,403 8 3 0 -1,1558 0,351101555726609
50362942 BDB-kin50380314.mol2, BDB-kin50380314.pdbqt 281 108,06 -5,051 379,423 1,5633 9 3 0 1,3813 0,595823067385608
50362943 BDB-kin50380320.mol2, BDB-kin50380320.pdbqt 258,52 83,14 -5,034 349,393 1,9866 7 2 0 -0,0072251 0,507107466567045
50362944 BDB-kin50380321.mol2, BDB-kin50380321.pdbqt 262,28 73,91 -5,923 347,421 3,1506 6 2 0 -1,3736 0,334880954463295
50362945 BDB-kin50380363.mol2, BDB-kin50380363.pdbqt 262,28 73,91 -5,923 347,421 3,1506 6 2 0 -1,3736 0,334880954463295
50362946 BDB-kin50381158.mol2, BDB-kin50381158.pdbqt 199,92 78,35 -4,154 270,291 1,7807 6 2 0 0,5765 0,66318868366468
50362947 BDB-kin50384245.mol2, BDB-kin50384245.pdbqt 283,72 112,58 -6,68 376,423 2,3776 9 2 0 -1,7983 0,289660668220909
50363167 BDB-kin50384246.mol2, BDB-kin50384246.pdbqt 253,49 69,85 -4,528 363,247 2,7066 5 2 0 0,92985 0,291895888205581
These data are only available for scientific research purposes.