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Records 3201 to 3220 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50314369 BDB-kin50315064.mol2, BDB-kin50315064.pdbqt 400,43 108,13 -5,18 538,602 3,6056 9 2 1 9,1584 0,454154272089147
50314370 BDB-kin50315065.mol2, BDB-kin50315065.pdbqt 325,48 84,66 -5,813 439,47 3,7916 7 1 0 3,8676 0,479218024702668
50315047 BDB-kin50315066.mol2, BDB-kin50315066.pdbqt 450,81 111,22 -7,199 611,749 3,3249 12 2 2 4,7989 3,94683142801269E-02
50315048 BDB-kin50315067.mol2, BDB-kin50315067.pdbqt 439,71 120,01 -7,561 597,722 3,072 12 3 2 1,0312 3,49209119505453E-02
50315049 BDB-kin50315068.mol2, BDB-kin50315068.pdbqt 464,57 111,22 -6,677 625,775 3,2478 12 2 2 5,6267 4,09462535857915E-02
50315050 BDB-kin50315069.mol2, BDB-kin50315069.pdbqt 424,99 107,98 -7,108 570,696 3,1694 11 2 2 1,0804 3,79443365609604E-02
50315051 BDB-kin50315070.mol2, BDB-kin50315070.pdbqt 413,89 116,77 -7,47 556,669 2,9029 11 3 2 0,094448 3,36095164006408E-02
50315052 BDB-kin50315071.mol2, BDB-kin50315071.pdbqt 448,75 117,21 -7,035 600,722 3,1763 12 2 2 3,4605 4,07362998320278E-02
50315053 BDB-kin50315072.mol2, BDB-kin50315072.pdbqt 488,33 120,45 -6,604 655,801 3,2547 13 2 2 6,0527 3,96441389119481E-02
50315054 BDB-kin50315073.mol2, BDB-kin50315073.pdbqt 465,77 117,21 -7,721 626,759 3,9673 12 2 2 2,359 0,033721009519225
50315055 BDB-kin50315074.mol2, BDB-kin50315074.pdbqt 420,28 134,2 -7,405 573,652 2,9561 12 3 2 -1,1416 2,65424289452778E-02
50315056 BDB-kin50315075.mol2, BDB-kin50315075.pdbqt 396,52 124,97 -7,478 543,626 2,9492 11 3 2 -0,96835 2,87979679671297E-02
50315057 BDB-kin50315076.mol2, BDB-kin50315076.pdbqt 467,01 142,45 -6,718 629,763 2,5867 13 4 2 1,8515 3,91744196122563E-02
50315058 BDB-kin50315077.mol2, BDB-kin50315077.pdbqt 425,95 110,78 -6,992 557,701 3,7123 11 3 2 5,5054 4,30723420249966E-02
50315059 BDB-kin50315078.mol2, BDB-kin50315078.pdbqt 437,05 101,99 -6,968 571,728 3,9617 11 2 2 5,4496 4,09254532970803E-02
50315060 BDB-kin50315079.mol2, BDB-kin50315079.pdbqt 446,8 127,29 -7,043 601,778 3,3756 11 2 2 4,9103 4,05442330916088E-02
50315061 BDB-kin50315080.mol2, BDB-kin50315080.pdbqt 450,31 111,22 -6,735 599,738 3,2934 12 2 2 5,9027 4,23203464832386E-02
50315062 BDB-kin50315081.mol2, BDB-kin50315081.pdbqt 439,96 107,98 -5,641 582,707 3,0279 11 2 2 3,1557 5,09194278560306E-02
50315063 BDB-kin50315082.mol2, BDB-kin50315082.pdbqt 441,51 107,98 -6,145 584,723 3,7925 11 2 2 2,9029 4,38778112163832E-02
50315064 BDB-kin50315083.mol2, BDB-kin50315083.pdbqt 430,41 116,77 -6,507 570,696 3,5396 11 3 2 -0,82167 2,94139261028416E-02
These data are only available for scientific research purposes.