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Records 3221 to 3240 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315065 BDB-kin50315084.mol2, BDB-kin50315084.pdbqt 455,27 107,98 -6,445 598,749 4,1988 11 2 2 2,2896 3,83893839697195E-02
50315066 BDB-kin50315085.mol2, BDB-kin50315085.pdbqt 466,27 107,98 -6,823 612,776 4,5581 11 2 2 1,1584 3,15058143143528E-02
50315067 BDB-kin50315086.mol2, BDB-kin50315086.pdbqt 466,27 107,98 -6,763 612,776 4,2152 11 2 2 2,264 3,59801552800914E-02
50315068 BDB-kin50315087.mol2, BDB-kin50315087.pdbqt 459,26 125,05 -5,752 612,733 3,7978 12 2 2 4,1241 6,03291142455288E-02
50315069 BDB-kin50315088.mol2, BDB-kin50315088.pdbqt 484,02 125,05 -6,43 640,786 4,5634 12 2 2 3,0806 0,046830276458991
50315070 BDB-kin50315089.mol2, BDB-kin50315089.pdbqt 484,02 125,05 -6,37 640,786 4,2205 12 2 2 1,8995 4,73156130980517E-02
50315071 BDB-kin50315090.mol2, BDB-kin50315090.pdbqt 458,66 133,84 -5,968 600,722 3,1527 12 3 2 0,86479 5,37894090075587E-02
50315072 BDB-kin50315091.mol2, BDB-kin50315091.pdbqt 439,45 113,97 -5,981 573,696 3,6439 11 2 2 1,574 5,82985689671648E-02
50315073 BDB-kin50315092.mol2, BDB-kin50315092.pdbqt 439,21 120,01 -7,097 585,711 3,0405 12 3 2 2,5031 4,09947888609802E-02
50315074 BDB-kin50315093.mol2, BDB-kin50315093.pdbqt 464,07 111,22 -7,035 613,764 3,6997 12 2 2 5,3782 0,038750722922727
50315075 BDB-kin50315094.mol2, BDB-kin50315094.pdbqt 475,07 111,22 -7,413 627,791 4,059 12 2 2 4,0205 3,51786588267018E-02
50315076 BDB-kin50315095.mol2, BDB-kin50315095.pdbqt 475,07 111,22 -7,353 627,791 3,7161 12 2 2 5,316 3,68762276894453E-02
50315077 BDB-kin50315096.mol2, BDB-kin50315096.pdbqt 468,06 128,29 -6,342 627,748 3,2987 13 2 2 7,0524 4,24858657221164E-02
50315078 BDB-kin50315097.mol2, BDB-kin50315097.pdbqt 492,82 128,29 -7,02 655,801 4,0643 13 2 2 5,8318 3,51977626955021E-02
50315079 BDB-kin50315098.mol2, BDB-kin50315098.pdbqt 492,82 128,29 -6,96 655,801 3,7214 13 2 2 4,9083 3,66348529006817E-02
50315080 BDB-kin50315099.mol2, BDB-kin50315099.pdbqt 467,46 137,08 -6,558 615,737 2,6536 13 3 2 4,5592 4,34081599680247E-02
50315081 BDB-kin50315209.mol2, BDB-kin50315209.pdbqt 448,25 117,21 -6,571 588,711 3,1448 12 2 2 4,7567 4,42972252771297E-02
50315082 BDB-kin50315210.mol2, BDB-kin50315210.pdbqt 483,52 125,05 -5,966 628,775 4,5319 12 2 2 4,8532 5,21177983346599E-02
50315083 BDB-kin50315211.mol2, BDB-kin50315211.pdbqt 474,57 111,22 -6,889 615,78 3,6846 12 2 2 6,3154 3,92821611348125E-02
50315084 BDB-kin50315212.mol2, BDB-kin50315212.pdbqt 423,99 107,98 -6,18 546,674 3,1064 11 2 2 3,6534 5,03493905240773E-02
These data are only available for scientific research purposes.