• UNII FDA
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Records 54841 to 54860 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
112500392 AF8YFA6U3N mol2, pdbqt 565,92 0,38841 296,46 -8,455 817,814 5,517 17 6 4 -14,665 1,17140087293312E-02
112500394 4J03IE2QBP mol2, pdbqt 491 0,33169 207,69 -7,187 672,677 6,9956 13 4 3 -17,508 1,11012379221801E-02
112500396 NXI660H410 mol2, pdbqt 346,59 0,42185 208,5 -5,205 514,538 2,4299 11 5 2 -5,8794 3,30646024895535E-02
112500399 021V7741WD mol2, pdbqt 544,48 0,40839 305,17 -8,883 811,832 4,1884 17 5 2 -10,311 1,43097553785001E-02
112500400 0D1QBS06Q3 mol2, pdbqt 565,92 0,38841 296,46 -8,455 817,814 5,517 17 6 4 -14,665 1,17140087293312E-02
112500402 JBI5Q2WCTA mol2, pdbqt 579,41 0,4557 367,92 -7,489 891,895 1,9591 20 6 3 -8,8483 1,71993567953572E-02
112500404 2H40285Y11 mol2, pdbqt 579,41 0,4557 367,92 -7,489 891,895 1,9591 20 6 3 -8,8483 1,71993567953572E-02
112500406 2OVB5UO35R mol2, pdbqt 188,94 0,1826 38,33 -2,543 233,31 1,9593 3 1 0 -6,074 0,461181618140494
112500407 A4FSZ1Z8F7 mol2, pdbqt 215,55 0,12155 40,46 -4,223 292,461 3,4857 2 2 0 -3,1357 0,383971204199659
112500410 49IOQ1507M mol2, pdbqt 579,41 0,4557 367,92 -7,489 891,895 1,9591 20 6 3 -8,8483 1,71993567953572E-02
112500414 6Q6ZDU5X5F mol2, pdbqt 579,41 0,4557 367,92 -7,489 891,895 1,9591 20 6 3 -8,8483 1,71993567953572E-02
112500416 T9516Q6R34 mol2, pdbqt 236 0,11102 40,46 -4,279 318,499 3,9198 2 2 0 2,7771 0,403770676601284
112500417 FE2DV2HH7A mol2, pdbqt 225,53 0,11617 40,46 -4,155 304,472 3,4796 2 2 0 3,034 0,722765042408617
112500419 62GB8I3776 mol2, pdbqt 132,37 0,026819 3,24 -0,818 142,265 0,4602 1 0 0 6,0235 0,783519933114153
112500420 4FNX1J271X mol2, pdbqt 187,27 0,23762 47,56 -3,444 235,282 1,8892 4 1 0 2,6525 0,508021518881139
112500421 PAK08HRU70 mol2, pdbqt 320,91 0,10785 41,82 -4,861 351,573 6,4697 3 1 1 -27,676 0,21129429486009
112500422 8588WO43J3 mol2, pdbqt 252,08 0,44295 155,68 0,288 346,335 -4,9194 10 4 0 -12,278 0,464674615640149
112500424 99H72UWW60 mol2, pdbqt 202,5 0,32296 88,34 -2,307 262,308 1,0861 5 3 0 -10,824 0,466345486908566
112500427 T2YES6NJ7I mol2, pdbqt 354,57 0,30392 138,31 -4,208 496,582 3,8211 8 2 0 8,1935 0,337422070573037
112500428 Y311X3Y7BJ mol2, pdbqt 354,57 0,30392 138,31 -4,208 496,582 3,8211 8 2 0 8,1935 0,337422070573037
Page 
 of 2794
Records 54841 to 54860 of 55865
These data are only available for scientific research purposes.