Page 
 of 6265
Records 124741 to 124760 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446466 50446466.mol2, BDB-kin50446466.pdbqt 301,37 76,99 -4,832 417,39 3,1547 7 2 0 -8,1935 0,310660414796487
50446467 50446467.mol2, BDB-kin50446467.pdbqt 230,92 69,39 -4,536 309,759 2,8297 5 3 0 3,3676 0,718047213697158
50446468 50446468.mol2, BDB-kin50446468.pdbqt 251,52 78,62 -4,118 319,367 2,56 6 3 0 1,6413 0,714248919780935
50446469 50446469.mol2, BDB-kin50446469.pdbqt 237,76 78,62 -3,818 305,34 2,1537 6 3 0 3,1859 0,80429483916288
50446539 50446539.mol2, BDB-kin50446539.pdbqt 257,39 68,4 -7,139 385,209 2,7797 6 1 0 6,2709 0,472237625968103
50446564 50446564.mol2, BDB-kin50446564.pdbqt 287,34 66,76 -4,35 372,503 5,0113 4 2 1 -5,2324 0,28400597306475
50446565 50446565.mol2, BDB-kin50446565.pdbqt 298,55 55,49 -4,996 383,53 5,6192 4 1 1 -2,7001 0,24255568540234
50446566 50446566.mol2, BDB-kin50446566.pdbqt 329,22 73,05 -4,907 413,6 5,4988 4 3 1 -2,6675 0,242808529379704
50446585 50446585.mol2, BDB-kin50446585.pdbqt 477,92 125,82 -8,852 639,682 4,6002 11 2 2 4,5165 0,234857736148904
50446586 50446586.mol2, BDB-kin50446586.pdbqt 548,16 147,52 -8,163 749,194 4,0097 14 2 2 9,8608 0,141404580667689
50446587 50446587.mol2, BDB-kin50446587.pdbqt 517,68 129,06 -8,169 722,694 4,392 12 2 2 3,9795 8,13591852066585E-02
50446588 50446588.mol2, BDB-kin50446588.pdbqt 509,99 129,06 -8,441 707,132 4,2505 12 2 2 9,8608 0,233027690673028
50446589 50446589.mol2, BDB-kin50446589.pdbqt 500,92 129,06 -8,019 690,677 3,7453 12 2 2 9,8295 0,25403568759845
50446590 50446590.mol2, BDB-kin50446590.pdbqt 494,57 129,06 -7,705 672,687 3,6445 12 2 2 9,8295 0,265098643707931
50446591 50446591.mol2, BDB-kin50446591.pdbqt 512,74 129,06 -8,079 682,751 4,2315 12 2 2 9,7961 8,70103142795307E-02
50446596 50446596.mol2, BDB-kin50446596.pdbqt 497,43 135,05 -8,939 694,089 4,1411 12 2 2 4,3753 0,234646025794644
50446597 50446597.mol2, BDB-kin50446597.pdbqt 488,36 135,05 -8,517 677,634 3,6359 12 2 2 4,3232 0,253859234556295
50446598 50446598.mol2, BDB-kin50446598.pdbqt 482,01 135,05 -8,203 659,644 3,5351 12 2 2 4,3232 0,263853135771511
50446599 50446599.mol2, BDB-kin50446599.pdbqt 500,18 135,05 -8,577 669,708 4,1221 12 2 2 4,3057 8,73945390035203E-02
50446600 50446600.mol2, BDB-kin50446600.pdbqt 487,92 135,05 -8,233 655,681 3,7782 12 2 2 4,3057 0,25897540230453
These data are only available for scientific research purposes.