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Records 1441 to 1460 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
151009 BDB-kin174289.mol2, BDB-kin174289.pdbqt 323,32 95,19 -6,096 433,514 2,3696 9 2 0 1,8758 0,476519319374849
151010 BDB-kin174290.mol2, BDB-kin174290.pdbqt 312,32 95,19 -5,718 419,488 2,0449 9 2 0 2,6935 0,540561768769185
151011 BDB-kin174291.mol2, BDB-kin174291.pdbqt 312,32 95,19 -5,718 419,488 2,0449 9 2 0 2,6935 0,324337061261511
151012 BDB-kin174292.mol2, BDB-kin174292.pdbqt 326,08 95,19 -5,958 433,514 2,46 9 2 0 3,4085 0,511450729772183
151013 BDB-kin174293.mol2, BDB-kin174293.pdbqt 301,32 95,19 -5,34 405,461 1,7202 9 2 0 1,759 0,565652831900602
151014 BDB-kin174294.mol2, BDB-kin174294.pdbqt 300,08 108,08 -4,889 406,449 0,8913 10 2 0 3,6633 0,393816306345467
151015 BDB-kin174295.mol2, BDB-kin174295.pdbqt 301,32 95,19 -5,34 405,461 1,7202 9 2 0 1,759 0,339391699140361
151016 BDB-kin174296.mol2, BDB-kin174296.pdbqt 285,67 105,42 -4,891 381,439 1,0035 9 2 0 1,6525 0,62830843101618
151017 BDB-kin174297.mol2, BDB-kin174297.pdbqt 318,62 108,5 -5,157 423,476 1,3845 10 2 0 2,4785 0,594105120896352
151019 BDB-kin174298.mol2, BDB-kin174298.pdbqt 307,67 105,42 -5,647 409,492 1,6529 9 2 0 2,5213 0,555624479626561
151020 BDB-kin174299.mol2, BDB-kin174299.pdbqt 329,45 133,95 -5,902 459,53 0,7295 11 2 1 3,6283 0,511306402269136
15138 BDB-kin111635.mol2, BDB-kin111635.pdbqt 285,27 76,82 -4,749 358,444 2,7393 5 2 0 1,1862 0,606443508044863
15234 BDB-kin111636.mol2, BDB-kin111636.pdbqt 295,27 109,11 -4,376 428,436 1,6247 8 0 0 0,96941 0,596074009249205
15244 BDB-kin111637.mol2, BDB-kin111637.pdbqt 292,25 70,33 -5,97 436,268 3,6215 4 0 0 3,9079 0,477508553074489
16673 BDB-kin111638.mol2, BDB-kin111638.pdbqt 328,56 92,35 -6,689 464,83 4,1428 7 3 0 -5,1185 0,198405893946852
17055 BDB-kin111639.mol2, BDB-kin111639.pdbqt 349,62 68,5 -2,129 468,555 1,399 7 1 0 7,4096 0,764732818039782
172187 BDB-kin174300.mol2, BDB-kin174300.pdbqt 362,71 75,35 -4,829 471,99 4,4924 6 1 0 3,2934 0,487003935421646
172188 BDB-kin174301.mol2, BDB-kin174301.pdbqt 353,64 75,35 -4,407 455,535 3,9872 6 1 0 1,9448 0,54448017814513
172189 BDB-kin174302.mol2, BDB-kin174302.pdbqt 296,92 80,33 -4,518 377,467 2,8993 5 1 0 -2,7443 0,367707100672326
172190 BDB-kin174303.mol2, BDB-kin174303.pdbqt 339,38 75,35 -3,643 429,498 3,4575 6 1 0 3,2671 0,682900554865166
These data are only available for scientific research purposes.