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Records 2981 to 3000 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50303283 BDB-kin50303302.mol2, BDB-kin50303302.pdbqt 387,97 113,33 -5,701 513,604 1,4681 11 2 2 6,9035 0,478647472525317
50303284 BDB-kin50303303.mol2, BDB-kin50303303.pdbqt 426,05 116,57 -6,708 568,684 2,3044 12 2 2 8,7337 0,364341493197276
50303285 BDB-kin50303304.mol2, BDB-kin50303304.pdbqt 375,37 122,12 -7,163 499,577 2,173 11 3 1 5,3073 0,401460485658743
50303286 BDB-kin50304665.mol2, BDB-kin50304665.pdbqt 386,47 113,33 -7,139 513,604 2,4224 11 2 2 5,6177 0,38832039147354
50303287 BDB-kin50304666.mol2, BDB-kin50304666.pdbqt 413,49 122,56 -7,206 555,641 2,195 12 2 2 4,0771 0,354488118200043
50303288 BDB-kin50304667.mol2, BDB-kin50304667.pdbqt 352,89 97,2 -7,373 469,547 3,1755 9 2 0 4,9536 0,400112769647666
50303289 BDB-kin50304668.mol2, BDB-kin50304668.pdbqt 427,29 103,68 -6,978 567,696 2,9539 11 2 2 8,7337 0,124403623208637
50303290 BDB-kin50304669.mol2, BDB-kin50304669.pdbqt 404,73 100,44 -8,095 538,654 3,6665 10 2 1 5,8046 0,116401344352969
50303291 BDB-kin50304670.mol2, BDB-kin50304670.pdbqt 444,49 103,68 -7,718 621,666 3,4382 11 2 2 1,271 9,23742485675396E-02
50303292 BDB-kin50304671.mol2, BDB-kin50304671.pdbqt 433,39 112,47 -8,08 607,639 3,1853 11 3 2 -2,1211 0,058790455995651
50303293 BDB-kin50304672.mol2, BDB-kin50304672.pdbqt 426,69 112,47 -6,856 555,685 2,5223 11 3 2 6,9883 0,131431850448532
50303294 BDB-kin50304673.mol2, BDB-kin50304673.pdbqt 437,79 103,68 -6,832 569,712 2,7717 11 2 2 5,5383 0,126644572786642
50303295 BDB-kin50304674.mol2, BDB-kin50304674.pdbqt 375,17 123,22 -7,333 498,589 2,1804 10 3 0 4,829 0,396217440538804
50303296 BDB-kin50304675.mol2, BDB-kin50304675.pdbqt 441,05 103,68 -6,456 581,723 2,8768 11 2 2 9,4753 0,358123076308661
50303297 BDB-kin50304676.mol2, BDB-kin50304676.pdbqt 425,23 109,67 -6,814 556,669 2,8053 11 2 2 8,092 0,361741710585974
50303298 BDB-kin50304677.mol2, BDB-kin50304677.pdbqt 373 117,43 -7,257 499,573 2,5782 10 3 0 4,8876 0,392657587437939
50303299 BDB-kin50304678.mol2, BDB-kin50304678.pdbqt 386,76 117,43 -7,369 513,6 3,0083 10 3 1 3,0776 0,233001288167014
50303300 BDB-kin50304679.mol2, BDB-kin50304679.pdbqt 451,01 131,79 -6,611 599,694 2,1248 13 2 2 4,8382 0,348337800487331
50303301 BDB-kin50304680.mol2, BDB-kin50304680.pdbqt 401,47 100,44 -6,887 526,643 2,7984 10 2 1 6,2784 0,381549252001582
50303302 BDB-kin50304681.mol2, BDB-kin50304681.pdbqt 319,15 97,2 -6,166 421,503 1,8731 9 2 0 5,2765 0,519503948133787
These data are only available for scientific research purposes.