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Records 125061 to 125080 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448575 50448575.mol2, BDB-kin50448575.pdbqt 320,12 97,47 -4,583 502,499 4,3197 5 1 1 -13,203 0,248753207656016
50448576 50448576.mol2, BDB-kin50448576.pdbqt 306,36 97,47 -4,313 488,472 3,8653 5 1 0 -12,943 0,280573933853321
50448577 50448577.mol2, BDB-kin50448577.pdbqt 306,36 97,47 -4,313 488,472 3,8653 5 1 0 -12,943 0,280573933853321
50448578 50448578.mol2, BDB-kin50448578.pdbqt 306,36 97,47 -4,313 488,472 3,8653 5 1 0 -12,943 0,280573933853321
50448579 50448579.mol2, BDB-kin50448579.pdbqt 306,36 97,47 -4,313 488,472 3,8653 5 1 0 -12,943 0,280573933853321
50448688 50448688.mol2, BDB-kin50448688.pdbqt 249,44 57,61 -2,498 291,39 3,5179 4 1 0 -0,94697 0,537436186110347
50448689 50448689.mol2, BDB-kin50448689.pdbqt 249,44 57,61 -2,498 291,39 3,5179 4 1 0 -0,94697 0,537436186110347
50448690 50448690.mol2, BDB-kin50448690.pdbqt 249,36 54,45 -2,777 291,39 3,7389 4 0 0 -5,8089 0,408294506558067
50448691 50448691.mol2, BDB-kin50448691.pdbqt 242,11 46,61 -2,7 291,39 3,2098 4 0 0 -4,6349 0,430430849860308
50448769 50448769.mol2, BDB-kin50448769.pdbqt 271,74 102,74 -4,169 348,409 3,2046 7 2 0 -0,46641 0,304626126041902
50448770 50448770.mol2, BDB-kin50448770.pdbqt 243,72 102,74 -3,383 308,344 2,4321 7 2 0 -4,2246 0,256917675198236
50448775 50448775.mol2, BDB-kin50448775.pdbqt 268,94 114,77 -4,386 337,386 2,6215 8 3 0 -3,302 0,13799483973309
50448776 50448776.mol2, BDB-kin50448776.pdbqt 288,74 128,52 -2,684 372,391 1,9035 9 2 0 -1,5588 0,299805876469498
50448777 50448777.mol2, BDB-kin50448777.pdbqt 285,92 143,87 -3,434 377,431 2,4073 8 2 0 -0,22601 0,346254312375387
50448778 50448778.mol2, BDB-kin50448778.pdbqt 291,93 128,77 -3,893 375,391 2,4394 9 2 0 -2,105 0,255113525409655
50448779 50448779.mol2, BDB-kin50448779.pdbqt 272,24 102,74 -4,415 360,42 3,043 7 2 0 -2,6942 0,226334418491081
50448780 50448780.mol2, BDB-kin50448780.pdbqt 274,5 102,74 -4,279 348,409 3,1396 7 2 0 -6,3545 0,218079122633203
50448781 50448781.mol2, BDB-kin50448781.pdbqt 270,74 111,97 -3,39 350,381 1,9756 8 2 0 -8,8894 0,149727801115012
50448782 50448782.mol2, BDB-kin50448782.pdbqt 243,22 111,97 -2,85 322,327 1,2916 8 2 0 -2,3622 0,288962881309044
50448783 50448783.mol2, BDB-kin50448783.pdbqt 251,57 122,97 -2,876 324,343 1,5054 8 3 0 -5,3862 0,265848857368346
These data are only available for scientific research purposes.