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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3437 3437.mol2, BDB-kin3437.pdbqt 297,54 105,82 -8,097 494,19 4,4274 7 3 0 -0,8969 0,209183274019718
3438 3438.mol2, BDB-kin3438.pdbqt 324,76 79,96 -7,142 508,261 4,4623 6 2 1 3,8705 0,197418426674942
3439 3439.mol2, BDB-kin3439.pdbqt 404,1 95,07 -8,374 607,393 5,7185 8 3 2 4,0867 0,124072600025449
3440 3440.mol2, BDB-kin3440.pdbqt 229,98 90,71 -6,573 293,373 3,0964 5 2 0 -1,8789 0,143164664570363
3441 3441.mol2, BDB-kin3441.pdbqt 309,32 105,82 -7,805 392,505 4,3526 7 3 0 0,8931 0,160212009532458
3442 3442.mol2, BDB-kin3442.pdbqt 225,46 109,17 -5,233 297,317 1,5808 7 2 0 -1,6323 0,396135463638933
3443 3443.mol2, BDB-kin3443.pdbqt 304,8 124,28 -6,465 396,45 2,837 9 3 0 0,91761 0,428771310889145
3444 3444.mol2, BDB-kin3444.pdbqt 304,58 79,96 -6,676 405,332 3,7695 6 2 0 6,3685 0,270362835151086
3445 3445.mol2, BDB-kin3445.pdbqt 362,75 95,07 -7,421 476,41 4,2858 8 3 0 6,8194 0,212779510579238
3446 3446.mol2, BDB-kin3446.pdbqt 383,92 95,07 -7,908 504,464 5,0257 8 3 2 6,4364 0,175006735798881
3447 3447.mol2, BDB-kin3447.pdbqt 376,51 95,07 -7,691 490,437 4,7402 8 3 0 6,2358 0,190584160385605
3448 3448.mol2, BDB-kin3448.pdbqt 387,51 95,07 -8,069 504,464 5,0995 8 3 2 7,0724 0,171703076237923
3449 3449.mol2, BDB-kin3449.pdbqt 332,1 79,96 -7,216 433,385 4,6783 6 2 0 4,4645 0,218647475529167
3450 3450.mol2, BDB-kin3450.pdbqt 390,27 95,07 -7,961 504,464 5,1946 8 3 2 5,0607 0,169267029685722
3451 3451.mol2, BDB-kin3451.pdbqt 411,44 95,07 -8,448 532,518 5,9345 8 3 2 4,7333 0,138517853721485
3452 3452.mol2, BDB-kin3452.pdbqt 432,05 95,07 -9,235 558,556 6,344 8 3 2 1,9383 0,114524473424976
3453 3453.mol2, BDB-kin3453.pdbqt 424,01 95,07 -9,168 552,508 6,497 8 3 2 4,741 0,120840660176398
3454 3454.mol2, BDB-kin3454.pdbqt 290,82 79,96 -6,346 391,305 3,4113 6 2 0 4,2439 0,489706322919881
3455 3455.mol2, BDB-kin3455.pdbqt 370,16 95,07 -7,578 490,437 4,6675 8 3 0 4,6223 0,322123770567118
3456 3456.mol2, BDB-kin3456.pdbqt 301,92 71,17 -6,322 405,332 3,6607 6 1 0 5,7014 0,475700428088514
These data are only available for scientific research purposes.