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Records 3261 to 3280 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315214 BDB-kin50315450.mol2, BDB-kin50315450.pdbqt 323,74 81,43 -4,578 469,495 3,0486 9 0 0 -1,1113 4,83548303397183E-02
50315215 BDB-kin50315451.mol2, BDB-kin50315451.pdbqt 312,24 81,43 -3,736 443,457 2,6924 9 0 0 -1,8106 5,22245623558176E-02
50315216 BDB-kin50315452.mol2, BDB-kin50315452.pdbqt 328,91 104,74 -6,087 451,529 1,8378 10 2 0 3,3752 6,41633437386777E-02
50315217 BDB-kin50315453.mol2, BDB-kin50315453.pdbqt 342,67 104,74 -6,387 465,556 2,2441 10 2 0 2,8127 5,87038389836327E-02
50315218 BDB-kin50315454.mol2, BDB-kin50315454.pdbqt 343,17 104,74 -6,851 477,567 2,3675 10 2 0 3,1489 5,45794724767505E-02
50315219 BDB-kin50315455.mol2, BDB-kin50315455.pdbqt 375,17 117,63 -6,799 514,588 2,5456 11 2 2 2,2394 4,92620499640525E-02
50315437 BDB-kin50315456.mol2, BDB-kin50315456.pdbqt 243 80,92 -3,756 337,33 2,7294 6 2 0 1,9338 0,743793721589083
50315438 BDB-kin50315457.mol2, BDB-kin50315457.pdbqt 289,63 104,67 -5,076 400,389 3,3459 7 3 0 1,3882 0,541847843047865
50315439 BDB-kin50315458.mol2, BDB-kin50315458.pdbqt 290,87 91,78 -5,871 399,401 4,3468 6 3 0 1,3882 0,256508140495666
50315440 BDB-kin50315459.mol2, BDB-kin50315459.pdbqt 303,21 82,55 -7,459 419,435 5,6112 5 3 1 1,2862 0,168191673640288
50315441 BDB-kin50315460.mol2, BDB-kin50315460.pdbqt 284,03 82,55 -6,589 403,82 5,0228 5 3 1 1,3685 0,207319008604567
50315442 BDB-kin50315461.mol2, BDB-kin50315461.pdbqt 274,96 82,55 -6,167 387,365 4,5176 5 3 0 -0,05381 0,20030930220784
50315443 BDB-kin50315462.mol2, BDB-kin50315462.pdbqt 267,37 95,44 -4,75 370,363 3,5069 6 3 0 1,2862 0,5775182023199
50315444 BDB-kin50315463.mol2, BDB-kin50315463.pdbqt 268,61 82,55 -5,853 369,375 4,4168 5 3 0 1,2862 0,260621315723594
50315445 BDB-kin50315464.mol2, BDB-kin50315464.pdbqt 243,37 91,78 -4,461 337,33 2,9945 6 3 0 1,6894 0,66361259467416
50315446 BDB-kin50315465.mol2, BDB-kin50315465.pdbqt 239,74 82,55 -5,277 386,2 3,7897 5 3 0 -0,20457 0,412271759378229
50315447 BDB-kin50315466.mol2, BDB-kin50315466.pdbqt 221,11 82,55 -4,443 307,304 3,0645 5 3 0 1,5854 0,669558432204051
50315448 BDB-kin50315652.mol2, BDB-kin50315652.pdbqt 278,61 91,78 -6,372 385,374 4,0622 6 3 0 0,74903 0,389921702872947
50315449 BDB-kin50315725.mol2, BDB-kin50315725.pdbqt 231,11 91,78 -4,093 323,303 2,5966 6 3 0 0,86365 0,661554710775412
50315450 BDB-kin50315726.mol2, BDB-kin50315726.pdbqt 227,48 82,55 -4,909 372,173 3,3918 5 3 0 -1,041 0,400951354864388
These data are only available for scientific research purposes.