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Records 53381 to 53400 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
90479585 8KMV387551 mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 5,32143258094633E-02
90479586 P02MJ17HQB mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 0,138578973462144
90479587 8SG2YKO1MB mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 3,99107443570975E-02
90479588 7583QHM15M mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 8,31473840772864E-02
90479590 30RMD28WTS mol2, pdbqt 650,12 0,49162 426,09 -4,398 961,762 -1,0232 26 13 3 -12,502 0,20631931376523
90479591 7WF9VH0S72 mol2, pdbqt 650,12 0,49162 426,09 -4,398 961,762 -1,0232 26 13 3 -12,502 0,20631931376523
90479592 VEV21K2441 mol2, pdbqt 131,68 0,21385 35,83 -1,438 156,228 1,4573 3 1 0 4,1086 0,956806350439944
90479593 2JJ2FF274D mol2, pdbqt 347,1 0,50124 243,9 -1,382 516,45 -2,7578 14 9 3 -5,0604 0,360142106421799
90479594 88ICF95M4T mol2, pdbqt 223,14 0,43345 119 -1,27 289,283 -1,4518 8 2 0 -2,3642 0,309829257635843
90479595 XL4F87480S mol2, pdbqt 193,09 0,45823 124,29 -0,938 270,236 -0,9577 7 4 0 1,8759 0,896888687790845
90479596 60972B4V0Y mol2, pdbqt 406,28 0,242 118,21 -3,342 575,708 2,9425 10 3 1 9,6094 0,335153099306292
90479599 55259Q09G5 mol2, pdbqt 260,68 0,15717 40,58 -4,038 323,391 4,021 4 0 0 -2,7954 0,372369263959998
90479605 72292L8U8H mol2, pdbqt 324,56 0,26288 110,13 -4,219 450,57 2,3468 7 2 0 3,9435 0,398265372238936
90479606 EQE3I70J3W mol2, pdbqt 686,35 0,22544 178,72 -8,488 894,123 6,9293 15 4 3 -9,7322 0,043892657258547
90479607 JH3Q4LM69J mol2, pdbqt 357,73 0,16227 60,03 -3,852 464,604 4,176 6 1 0 5,072 0,214645951438156
90479608 00V8CJ76Y9 mol2, pdbqt 438,51 0,22431 127,2 -6,372 621,208 5,2431 8 2 2 -1,8059 4,22799780790818E-02
90479609 5KYI55N013 mol2, pdbqt 184,52 0,30392 61,83 -3,833 319,911 1,1687 5 0 0 -4,1081 5,44505896285339E-02
90479617 LCY5M0U6BX mol2, pdbqt 228,22 0,11454 37,3 -3,987 252,396 4,9716 2 1 0 -14,067 0,254904568778838
90479618 I905ECX43Q mol2, pdbqt 1938,4 0,35508 985,72 -12,015 2648,16 -2,6711 55 43 3 -7,595 0,125145923443328
90479620 88NSS01UDV mol2, pdbqt 183,34 0,14579 38,05 -2,228 186,341 2,2668 2 2 0 -22,189 0,465142265910466
These data are only available for scientific research purposes.