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Records 4221 to 4240 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447626 BDB-kin5445.mol2, BDB-kin5445.pdbqt 378,04 164,13 -6,574 546,071 3,2248 9 2 1 1,792 0,344424689496689
50447627 BDB-kin5446.mol2, BDB-kin5446.pdbqt 373,03 135,89 -6,218 523,587 2,5258 9 2 1 -4,5773 0,213132538236797
50447628 BDB-kin5447.mol2, BDB-kin5447.pdbqt 373,03 135,89 -6,218 523,587 2,5258 9 2 1 -0,58058 0,286686426830925
50447629 BDB-kin5655.mol2, BDB-kin5655.pdbqt 396,14 135,89 -6,682 573,594 3,2733 9 2 1 -4,9911 0,173959296045055
50447630 BDB-kin5931.mol2, BDB-kin5931.pdbqt 388,39 159,68 -6,677 530,607 2,2606 10 2 1 -4,455 0,199976145340043
50447631 BDB-kin60568.mol2, BDB-kin60568.pdbqt 388,94 145,12 -5,922 535,623 2,355 10 2 1 2,0016 0,407278435968489
50447632 BDB-kin60569.mol2, BDB-kin60569.pdbqt 366,68 135,89 -5,904 505,597 2,425 9 2 1 -5,6142 0,231226317645829
50447633 BDB-kin60570.mol2, BDB-kin60570.pdbqt 333,44 135,89 -6,172 469,564 1,7761 9 2 0 2,284 0,459901655767142
50447634 BDB-kin60571.mol2, BDB-kin60571.pdbqt 319,18 135,89 -5,658 443,527 1,1746 9 2 0 2,2472 0,525351613885456
50447635 BDB-kin60572.mol2, BDB-kin60572.pdbqt 435,75 165,35 -6,324 615,656 2,024 11 3 2 1,8421 0,329938387849103
50447636 BDB-kin60589.mol2, BDB-kin60589.pdbqt 379,38 135,89 -6,532 541,578 2,6266 9 2 1 0,081369 0,295226008049963
50447637 BDB-kin60631.mol2, BDB-kin60631.pdbqt 267,55 100,79 -4,947 360,42 1,3379 7 2 0 2,327 0,65762020984824
50447638 BDB-kin60665.mol2, BDB-kin60665.pdbqt 267,55 100,79 -5,084 360,42 1,727 7 2 0 0,97788 0,577350646924119
50447639 BDB-kin65549.mol2, BDB-kin65549.pdbqt 280,68 77,04 -5,061 373,459 2,2996 6 1 0 1,1252 0,574232443993794
50447640 BDB-kin6568.mol2, BDB-kin6568.pdbqt 268,79 87,9 -5,398 359,432 2,1668 6 2 0 0,52165 0,51121573283557
50447641 BDB-kin7886.mol2, BDB-kin7886.pdbqt 273,23 81,34 -4,885 368,411 2,2267 6 1 0 -0,94764 0,434015140048518
50447642 BDB-kin92585.mol2, BDB-kin92585.pdbqt 265,64 94,23 -4,108 351,409 1,5817 7 1 0 0,39236 0,623224660852817
50447643 BDB-kin92862.mol2, BDB-kin92862.pdbqt 266,88 81,34 -4,571 350,421 2,1259 6 1 0 0,39236 0,579419937208038
50447644 BDB-kin92863.mol2, BDB-kin92863.pdbqt 323,25 110,8 -4,363 424,499 1,5233 8 2 0 2,0345 0,657086031896987
5445 BDB-kin111619.mol2, BDB-kin111619.pdbqt 424,92 114,73 -8,061 581,066 4,7281 8 2 1 -4,2297 0,132306510791156
These data are only available for scientific research purposes.