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 of 2794
Records 50941 to 50960 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
73425407 0581EU40J9 mol2, pdbqt 172,47 0,14507 35,82 -2,7 188,273 1,9117 2 1 0 -1,9652 0,31086899473814
73425408 00KKN72U82 mol2, pdbqt 112,97 0,21307 33,12 -2,026 145,161 1,6299 2 1 0 -1,88 0,116523318126533
73425409 8A51C50NC4 mol2, pdbqt 80,9 0,70062 89,34 0,025 104,109 -6,0424 4 3 0 -7,0402 0,297997345766161
73425410 L094016PYS mol2, pdbqt 134,84 0,29101 57,53 -1,88 231,045 0,7979 3 2 0 -2,1344 0,252946649967878
73425411 4X2AHU48WW mol2, pdbqt 0   0 -0,53 18,0388 0 1 1 0 -1 0,226009610806455
73425412 HGG20TDA94 mol2, pdbqt 180,29 0,47046 114,71 -1,353 260,313 -0,7345 6 3 0 -8,5294 0,479803244923943
73425413 5I62XQ94NI mol2, pdbqt 287,69 0,2055 69,67 -4,746 390,518 3,7178 5 0 0 0,475 0,402789945939092
73425414 G4KJU4LLB2 mol2, pdbqt 297,23 0,077516 26,3 -5,805 374,606 6,1636 2 0 1 -12,736 0,147327077326309
73425415 2117GXC75C mol2, pdbqt 399,04 0,39161 179,33 -4,067 544,515 -0,1279 14 1 2 5,963 0,585624758610103
73425416 56MBQ97F92 mol2, pdbqt 239,14 0,18081 53,01 -3,174 352,433 1,6782 5 1 0 4,7337 0,844240122724491
73425419 SAO6CZH783 mol2, pdbqt 358,22 0,26593 116,2 -4,629 492,607 3,0063 8 1 0 2,1698 0,540224913382318
73425420 62235Y0Z1G mol2, pdbqt 359,32 0,26528 119,36 -4,578 494,622 2,8626 8 2 0 1,7841 0,534474018947643
73425421 69UUG5050T mol2, pdbqt 352,16 0,23347 99,13 -5,183 486,603 3,114 7 1 0 -0,74015 0,346022300114998
73425422 50ZWR3FQFE mol2, pdbqt 266,15 0,16363 40,16 -4,167 354,425 2,5152 5 0 0 6,046 0,754412615382331
73425424 630YA79E2D mol2, pdbqt 261,05 0,22842 65,07 -3,781 371,432 2,3491 6 0 0 3,9796 0,774121716768858
73425425 J8T803D87N mol2, pdbqt 572,04 0,12615 86,74 -6,864 676,891 11,875 6 0 2 0,46756 0,126842582898776
73425426 PX3VK31D6R mol2, pdbqt 334,33 0,029911 9,23 -5,771 408,667 7,3675 1 0 1 -1,3619 0,188124110551491
73425427 0AZ8338U2R mol2, pdbqt 254,03 0,1936 63,6 -4,336 348,481 3,2332 4 1 0 1,1473 0,503626668620396
73425428 7EW694LZVF mol2, pdbqt 283,9 0,1534 40,16 -3,362 369,459 3,5395 5 0 0 3,1151 0,744090626824754
73425429 EKC5FB482J mol2, pdbqt 227,86 0,21781 55,84 -2,549 303,357 1,8508 5 0 0 -0,52972 0,222031289430694
These data are only available for scientific research purposes.