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Records 621 to 640 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
116100 BDB-kin125227.mol2, BDB-kin125227.pdbqt 421,76 130,76 -3,673 550,657 2,939 9 1 1 -0,65975 0,382925539718969
116101 BDB-kin125228.mol2, BDB-kin125228.pdbqt 374,3 97,03 -4,762 487,005 4,3037 7 2 0 2,43 0,479872093830806
116102 BDB-kin125229.mol2, BDB-kin125229.pdbqt 388,99 88,24 -4,741 501,032 4,7787 7 1 1 2,044 0,429108577652022
116103 BDB-kin125231.mol2, BDB-kin125231.pdbqt 428,53 142,79 -4,246 568,1 3,277 10 2 1 3,6449 0,500672349087628
116104 BDB-kin125232.mol2, BDB-kin125232.pdbqt 384,63 102,82 -3,442 497,989 4,3213 8 1 0 1,3141 0,511276685944482
116105 BDB-kin125233.mol2, BDB-kin125233.pdbqt 371,13 115,71 -3,209 484,95 3,5331 9 1 0 0,9287 0,558034430259371
116106 BDB-kin125234.mol2, BDB-kin125234.pdbqt 372,37 102,82 -3,074 483,962 3,9234 8 1 0 -0,19577 0,459063119111138
116107 BDB-kin125235.mol2, BDB-kin125235.pdbqt 430,83 130,76 -4,095 567,112 3,4442 9 1 1 0,82047 0,433230999640942
116108 BDB-kin125236.mol2, BDB-kin125236.pdbqt 450,72 116,77 -3,957 578,711 3,6696 9 1 1 -0,27546 0,356760243776263
116109 BDB-kin125239.mol2, BDB-kin125239.pdbqt 432,64 83,48 -4,254 542,657 4,5241 8 1 1 -0,9286 0,299173916992089
116110 BDB-kin125240.mol2, BDB-kin125240.pdbqt 392,26 88,83 -2,936 495,56 4,1488 8 1 0 -1,0594 0,381771268710063
116111 BDB-kin125241.mol2, BDB-kin125241.pdbqt 391,02 101,72 -3,071 496,549 3,7585 9 1 0 0,037639 0,473952666609413
116112 BDB-kin125242.mol2, BDB-kin125242.pdbqt 404,52 88,83 -3,304 509,587 4,5467 8 1 1 0,4 0,437063987731133
116113 BDB-kin125244.mol2, BDB-kin125244.pdbqt 392,73 80,24 -4,76 499,588 4,6726 7 1 0 0,1303 0,354608545051401
116114 BDB-kin125247.mol2, BDB-kin125247.pdbqt 448,42 128,8 -4,108 579,699 3,5024 10 2 1 2,5617 0,478286746096946
116115 BDB-kin125248.mol2, BDB-kin125248.pdbqt 408,88 74,25 -4,603 512,631 5,0041 7 1 2 1,105 0,383334138829378
116116 BDB-kin125250.mol2, BDB-kin125250.pdbqt 467,97 100,55 -5,646 598,721 6,1881 9 1 2 -33,611 0,127882071032904
116117 BDB-kin125253.mol2, BDB-kin125253.pdbqt 440,45 100,55 -5,106 570,667 5,5041 9 1 2 -36,19 0,164790439478042
116118 BDB-kin125254.mol2, BDB-kin125254.pdbqt 365,23 97,03 -4,34 470,55 3,7985 7 2 0 1,0775 0,508415037113079
116119 BDB-kin125255.mol2, BDB-kin125255.pdbqt 337,71 97,03 -3,8 442,497 3,1145 7 2 0 -1,6295 0,400412756953331
These data are only available for scientific research purposes.