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Records 124641 to 124660 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446209 50446209.mol2, BDB-kin50446209.pdbqt 413,58 135,44 -6,467 580,058 3,4992 9 4 1 -0,48746 0,237757070632885
50446210 50446210.mol2, BDB-kin50446210.pdbqt 411,41 129,65 -6,391 581,042 1,8336 9 4 1 -0,94063 0,239727128193543
50446237 50446237.mol2, BDB-kin50446237.pdbqt 285,84 84,51 -6,472 416,358 3,4354 7 1 0 -6,0564 0,235205920203859
50446238 50446238.mol2, BDB-kin50446238.pdbqt 268,64 84,51 -6,038 362,388 2,931 7 1 0 1,0562 0,476854555749339
50446239 50446239.mol2, BDB-kin50446239.pdbqt 280,05 130,33 -6,154 393,358 1,6655 10 1 0 -4,0287 0,276213355291264
50446240 50446240.mol2, BDB-kin50446240.pdbqt 275,01 84,51 -6,528 427,257 3,3123 7 1 0 -0,65638 0,310667146366691
50446241 50446241.mol2, BDB-kin50446241.pdbqt 271,8 84,51 -6,43 382,806 3,1931 7 1 0 1,1719 0,440804313103068
50446242 50446242.mol2, BDB-kin50446242.pdbqt 262,73 84,51 -6,008 366,351 2,6879 7 1 0 -0,20638 0,401595227661937
50446243 50446243.mol2, BDB-kin50446243.pdbqt 264,9 110,53 -5,77 363,376 1,9098 8 2 0 1,089 0,310263536516491
50446244 50446244.mol2, BDB-kin50446244.pdbqt 262,73 104,74 -5,398 364,36 2,2414 8 2 0 1,1336 0,548202399815505
50446253 50446253.mol2, BDB-kin50446253.pdbqt 304,79 80,04 -7,92 422,409 5,1761 5 3 1 -7,174 5,91864813330069E-02
50446254 50446254.mol2, BDB-kin50446254.pdbqt 311,14 80,04 -8,234 440,399 5,2769 5 3 1 -7,174 5,59110176761727E-02
50446255 50446255.mol2, BDB-kin50446255.pdbqt 311,14 80,04 -8,234 440,399 5,2769 5 3 1 -7,174 5,59110176761727E-02
50446256 50446256.mol2, BDB-kin50446256.pdbqt 311,14 80,04 -8,234 440,399 5,2769 5 3 1 -7,174 5,59110176761727E-02
50446257 50446257.mol2, BDB-kin50446257.pdbqt 299,42 132,1 -8,137 392,418 3,7032 9 3 0 -0,4461 0,230653498767947
50446258 50446258.mol2, BDB-kin50446258.pdbqt 279,2 106,07 -8,067 379,806 3,9116 7 3 0 0,4335 0,331647493451918
50446259 50446259.mol2, BDB-kin50446259.pdbqt 289,8 106,07 -7,834 373,415 4,0651 7 3 0 0,15731 0,317583683033928
50446260 50446260.mol2, BDB-kin50446260.pdbqt 308,66 106,07 -8,845 447,803 4,7599 7 3 0 -6,7565 0,164572604204391
50446261 50446261.mol2, BDB-kin50446261.pdbqt 299,59 106,07 -8,423 431,348 4,2547 7 3 0 -6,8543 0,183592853918239
50446262 50446262.mol2, BDB-kin50446262.pdbqt 299,59 106,07 -8,423 431,348 4,2547 7 3 0 -6,8543 0,183592853918239
These data are only available for scientific research purposes.