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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439166 50439166.mol2, BDB-kin50439166.pdbqt 301,51 101,62 -4,7 398,425 1,2666 8 2 0 4,6058 0,68587319211266
50439726 50439726.mol2, BDB-kin50439726.pdbqt 240,53 109,14 -5,595 352,339 3,3464 5 2 0 -6,084 0,289671763119506
50439727 50439727.mol2, BDB-kin50439727.pdbqt 209,83 122,03 -4,354 285,33 1,9539 6 2 0 1,106 0,683614670801318
50439167 50439167.mol2, BDB-kin50439167.pdbqt 306,87 64,32 -5,465 422,413 2,6298 6 1 0 -2,1954 0,313287099336575
50439168 50439168.mol2, BDB-kin50439168.pdbqt 299,12 88,11 -5,46 379,426 1,6171 7 1 0 0,71461 0,515752685893367
50439169 50439169.mol2, BDB-kin50439169.pdbqt 283,76 64,32 -5,001 372,406 1,8823 6 1 0 3,6546 0,660289926319968
50439170 50439170.mol2, BDB-kin50439170.pdbqt 277,41 64,32 -4,687 354,416 1,7815 6 1 0 4,9946 0,713810872165547
50439333 50439333.mol2, BDB-kin50439333.pdbqt 284,14 56,27 -6,754 369,423 5,2751 5 1 1 -1,6098 0,218895163817302
50439334 50439334.mol2, BDB-kin50439334.pdbqt 270,38 56,27 -6,484 355,396 4,9331 5 1 0 -8,1826 0,207850611147529
50439335 50439335.mol2, BDB-kin50439335.pdbqt 256,62 56,27 -7,013 341,369 5,0657 5 1 1 -1,0442 0,244326618772541
50439425 50439425.mol2, BDB-kin50439425.pdbqt 334,73 91,55 -7,471 459,523 3,396 7 3 0 1,471 0,362450306867484
50439426 50439426.mol2, BDB-kin50439426.pdbqt 328,38 91,55 -7,157 441,533 3,2952 7 3 0 2,811 0,41291654073324
50439427 50439427.mol2, BDB-kin50439427.pdbqt 356,23 91,55 -7,197 457,576 3,795 7 3 0 0,74833 0,331785319845495
50439428 50439428.mol2, BDB-kin50439428.pdbqt 336,56 111,78 -6,15 445,521 1,9595 8 4 0 3,283 0,493324441697299
50439429 50439429.mol2, BDB-kin50439429.pdbqt 342,47 91,55 -6,927 443,549 3,3406 7 3 0 3,1651 0,422445143360755
50439430 50439430.mol2, BDB-kin50439430.pdbqt 328,71 91,55 -6,657 429,522 2,8862 7 3 0 3,4015 0,458892254661429
50439431 50439431.mol2, BDB-kin50439431.pdbqt 259,85 51,97 -3,504 338,385 1,7223 5 1 0 0,79022 0,705458460462798
50439432 50439432.mol2, BDB-kin50439432.pdbqt 247,35 51,97 -3,83 324,358 1,504 5 1 0 2,1391 0,778268586051128
50439433 50439433.mol2, BDB-kin50439433.pdbqt 235,59 42,74 -3,666 296,348 1,6416 4 1 0 2,3212 0,807725845033485
50439434 50439434.mol2, BDB-kin50439434.pdbqt 218,22 50,94 -3,674 283,305 1,6879 4 1 0 1,2843 0,756929233827585
These data are only available for scientific research purposes.