• UNII FDA
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Records 121 to 140 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
457 UM47085BXC mol2, pdbqt 113,2 0,31078 48,02 -0,573 137,161 -0,1212 3 1 0 -0,32002 0,699578658522816
460 6JKA7MAH9C mol2, pdbqt 101,87 0,22676 29,46 -1,338 124,139 1,2439 2 1 0 -1,9944 0,195696164340131
461 U8K6DKA8V2 mol2, pdbqt 364,1 0,14482 66,84 -3,648 400,621 4,7396 5 1 0 -24,981 0,310126188500466
464 TE0865N2ET mol2, pdbqt 140,33 0,36086 66,4 -1,396 179,174 0,2284 4 2 0 -3,5747 0,499439912765732
469 1K7B1OED4N mol2, pdbqt 124 0,54476 100,62 -0,691 161,156 -2,9042 5 3 0 -19,278 0,492406263382615
470 92V7KM11ZK mol2, pdbqt 94,66 0,59877 89,34 -0,245 118,135 -5,588 4 3 0 -11,182 0,495345958794248
473 286060413U mol2, pdbqt 112,62 0,5032 79,67 -1,026 148,182 -0,2941 3 1 0 -9,869 0,490602430495484
485 9Q5XI11K27 mol2, pdbqt 139,78 0,39512 75,22 1,811 184,235 -3,2588 5 1 0 0,28594 0,776287740361729
487 8LL8S712J7 mol2, pdbqt 86,46 0,60467 74,6 -0,364 118,088 -0,9027 4 2 0 -4,189 0,501790521813494
499 6VT1YZM21H mol2, pdbqt 93,33 0,54259 66,4 -0,69 129,115 -1,1153 4 2 0 -8,8934 0,493344611469077
500 15ADP48O8Q mol2, pdbqt 118,89 0,57356 101,7 -1,169 145,161 -1,3781 5 3 0 -0,4795 0,678502747235671
502 Q40BOH7F84 mol2, pdbqt 114,79 0,47948 81,14 -1,123 131,178 -0,9773 4 3 0 -1,4645 0,583650220043501
510 H6C6T4285H mol2, pdbqt 120,36 1 169,02 2,698 239,937 -5,4771 9 3 0 -21,188 0,489317330608743
525 817L1N4CKP mol2, pdbqt 94,31 0,69325 94,83 -0,075 134,087 -1,6884 5 3 0 0,70851 0,826420362246994
527 AMJ2B4M67V mol2, pdbqt 59,06 0,22079 17,07 -0,962 58,0796 0,2926 1 0 0 -4,5934 0,178977482499872
529 H8593JOP13 mol2, pdbqt 97,83 0,8112 113,87 1,628 156,03 -4,4696 6 3 0 -19,825 0,495686953174206
533 V91P54KPAM mol2, pdbqt 0   0 -0,53 80,9759 0 0 0 0 -1 0,376033981829228
540 460E3FHT8O mol2, pdbqt 41,56 0,64148 44,02 -0,511 43,0249 -0,6924 2 1 0 -4,21 0,502607856961293
544 N5509X556J mol2, pdbqt 39,3 1 60,69 3,28 125,943 0 3 3 0 -1,8942 0,17212101942339
545 935XD1L5K2 mol2, pdbqt 39,3 1 60,69 3,28 125,943 0 3 3 0 -1,8942 0,17212101942339
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Records 121 to 140 of 55865
These data are only available for scientific research purposes.