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Records 124921 to 124940 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447633 50447633.mol2, BDB-kin50447633.pdbqt 333,44 135,89 -6,172 469,564 1,7761 9 2 0 2,284 0,459901655767142
50447634 50447634.mol2, BDB-kin50447634.pdbqt 319,18 135,89 -5,658 443,527 1,1746 9 2 0 2,2472 0,525351613885456
50447635 50447635.mol2, BDB-kin50447635.pdbqt 435,75 165,35 -6,324 615,656 2,024 11 3 2 1,8421 0,329938387849103
50447636 50447636.mol2, BDB-kin50447636.pdbqt 379,38 135,89 -6,532 541,578 2,6266 9 2 1 0,081369 0,295226008049963
50447637 50447637.mol2, BDB-kin50447637.pdbqt 267,55 100,79 -4,947 360,42 1,3379 7 2 0 2,327 0,65762020984824
50447638 50447638.mol2, BDB-kin50447638.pdbqt 267,55 100,79 -5,084 360,42 1,727 7 2 0 0,97788 0,577350646924119
50447639 50447639.mol2, BDB-kin50447639.pdbqt 280,68 77,04 -5,061 373,459 2,2996 6 1 0 1,1252 0,574232443993794
50447640 50447640.mol2, BDB-kin50447640.pdbqt 268,79 87,9 -5,398 359,432 2,1668 6 2 0 0,52165 0,51121573283557
50447641 50447641.mol2, BDB-kin50447641.pdbqt 273,23 81,34 -4,885 368,411 2,2267 6 1 0 -0,94764 0,434015140048518
50447642 50447642.mol2, BDB-kin50447642.pdbqt 265,64 94,23 -4,108 351,409 1,5817 7 1 0 0,39236 0,623224660852817
50447643 50447643.mol2, BDB-kin50447643.pdbqt 266,88 81,34 -4,571 350,421 2,1259 6 1 0 0,39236 0,579419937208038
50447644 50447644.mol2, BDB-kin50447644.pdbqt 323,25 110,8 -4,363 424,499 1,5233 8 2 0 2,0345 0,657086031896987
50447645 50447645.mol2, BDB-kin50447645.pdbqt 351,86 135,89 -5,992 513,524 1,9426 9 2 1 2,8236 0,440474981906239
50447646 50447646.mol2, BDB-kin50447646.pdbqt 373,03 135,89 -6,218 523,587 2,5258 9 2 1 0,29116 0,331727733832746
50447756 50447756.mol2, BDB-kin50447756.pdbqt 356,23 173 -5,896 509,566 2,9052 10 3 1 -0,36282 9,10726652165759E-02
50447834 50447834.mol2, BDB-kin50447834.pdbqt 332,98 92,54 -6,55 456,54 4,7093 6 2 0 -0,71232 0,249760415244644
50447835 50447835.mol2, BDB-kin50447835.pdbqt 397,35 106,12 -7,504 533,687 5,9367 6 1 2 -3,5193 0,124108032146684
50448089 50448089.mol2, BDB-kin50448089.pdbqt 371,9 135,36 -7,292 513,577 3,4669 9 2 1 4,7924 0,361475260396342
50448090 50448090.mol2, BDB-kin50448090.pdbqt 359,64 135,36 -6,948 499,55 3,123 9 2 0 -2,4202 0,213165735313975
50448771 50448771.mol2, BDB-kin50448771.pdbqt 324,72 111,11 -5,997 406,488 3,7566 8 3 0 -5,4565 0,24829710373098
These data are only available for scientific research purposes.