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Records 2961 to 2980 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50302278 BDB-kin50303282.mol2, BDB-kin50303282.pdbqt 344,39 117,79 -4,641 443,506 2,6626 11 1 1 -4,9046 0,041226203755712
50302279 BDB-kin50303283.mol2, BDB-kin50303283.pdbqt 348,15 108,56 -5,53 441,534 3,8266 10 1 0 -4,0767 3,32146655048392E-02
50302280 BDB-kin50303284.mol2, BDB-kin50303284.pdbqt 341,87 114,13 -3,883 444,49 1,5861 11 1 1 -3,4047 0,106471351627765
50302281 BDB-kin50303285.mol2, BDB-kin50303285.pdbqt 290,97 94,76 -3,723 383,407 2,462 9 1 0 2,2115 0,73521083093662
50302282 BDB-kin50303286.mol2, BDB-kin50303286.pdbqt 301,77 89,83 -3,179 394,43 2,2397 8 1 0 1,1453 0,706502927414072
50302283 BDB-kin50303287.mol2, BDB-kin50303287.pdbqt 297,71 118,07 -2,523 400,458 2,1455 8 1 0 3,5203 0,814528975621766
50302284 BDB-kin50303288.mol2, BDB-kin50303288.pdbqt 297,71 118,07 -2,523 400,458 2,1455 8 1 0 3,5203 0,814528975621766
50302285 BDB-kin50303289.mol2, BDB-kin50303289.pdbqt 292,7 90,08 -3,632 383,403 2,3753 8 1 0 2,4703 0,751752058803907
50302286 BDB-kin50303290.mol2, BDB-kin50303290.pdbqt 354,54 102,55 -4,26 468,508 2,3957 10 1 0 2,4703 0,619872152803753
50302287 BDB-kin50303291.mol2, BDB-kin50303291.pdbqt 310,02 84,09 -4,224 408,457 2,5357 8 1 0 2,4334 0,679643717718658
50302288 BDB-kin50303292.mol2, BDB-kin50303292.pdbqt 310,02 84,09 -4,224 408,457 2,5357 8 1 0 2,4334 0,679643717718658
50302289 BDB-kin50303293.mol2, BDB-kin50303293.pdbqt 323,78 84,09 -4,404 422,483 2,2841 8 1 0 2,35 0,654367520656172
50302290 BDB-kin50303294.mol2, BDB-kin50303294.pdbqt 323,78 84,09 -4,404 422,483 2,2841 8 1 0 2,35 0,654367520656172
50302291 BDB-kin50303295.mol2, BDB-kin50303295.pdbqt 302,43 76,75 -3,725 393,446 1,8805 8 0 0 2,434 0,745686837246866
50302292 BDB-kin50303296.mol2, BDB-kin50303296.pdbqt 327,84 79,65 -5,045 431,495 2,9208 8 1 0 2,5831 0,574769798881962
50302293 BDB-kin50303297.mol2, BDB-kin50303297.pdbqt 351,57 120,12 -3,003 469,5 1,5741 12 1 1 2,2115 9,06708122711658E-02
50303279 BDB-kin50303298.mol2, BDB-kin50303298.pdbqt 416,92 129,54 -7,11 555,641 1,67 12 3 2 6,2974 0,131114027606263
50303280 BDB-kin50303299.mol2, BDB-kin50303299.pdbqt 433,94 129,54 -7,796 581,679 2,2454 12 3 2 6,5454 0,260980029173549
50303281 BDB-kin50303300.mol2, BDB-kin50303300.pdbqt 414,73 109,67 -7,476 554,653 2,8445 11 2 2 4,0771 0,122333307390464
50303282 BDB-kin50303301.mol2, BDB-kin50303301.pdbqt 351,65 110,09 -6,578 470,535 2,1746 10 2 0 4,9536 0,450178782945113
These data are only available for scientific research purposes.