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 of 2794
Records 53681 to 53700 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
91667680 G702A8B63R mol2, pdbqt 300,5 0,44739 174,65 -2,713 444,395 -1,0141 11 6 2 2,995 0,772342211246038
91667681 IN41I78D7R mol2, pdbqt 414,67 0,24774 112,99 -3,514 599,718 1,8422 10 1 1 3,9489 0,542618884598713
91667682 P11O2TTJ4Q mol2, pdbqt 10 1 9,23 -0,53 18,0149 0 1 1 0 -1 0,135605826048597
91667683 N364WXG0U3 mol2, pdbqt 264,24 0,24122 86,63 -3,148 333,426 1,9452 5 3 0 -11,66 0,42842352369063
91667684 MP6377B1BL mol2, pdbqt 244,53 0,17523 63,93 -3,439 343,465 2,2916 4 3 0 -1,9788 0,463199569326016
91667685 FUK6L134YQ mol2, pdbqt 264,12 0,24777 97,99 -2,803 374,475 1,3374 5 4 0 2,4508 0,819122006680091
91667686 0A63XB8X3Z mol2, pdbqt 268,5 0,28618 106,86 -2,698 349,425 1,0857 6 4 0 -11,572 0,439275329566832
91667688 P17J6R22FW mol2, pdbqt 268,5 0,28618 106,86 -2,698 349,425 1,0857 6 4 0 -11,572 0,439275329566832
91667693 JE162WI19U mol2, pdbqt 358,68 0,17347 80,67 -5,699 508,628 4,3585 5 1 1 1,9801 0,228961708866716
91667697 3P5W4CJ8GG mol2, pdbqt 245,24 0,10634 34,14 -4,617 332,457 3,7934 2 0 0 -0,42433 0,222326208466575
91667699 1UC8119O0E mol2, pdbqt 184,52 0,30392 61,83 -3,833 319,911 1,1687 5 0 0 -4,1081 5,44505896285339E-02
91667710 6ZH2XEE84P mol2, pdbqt 552,63 0,3564 267,04 -5,144 822,938 0,9825 16 8 3 -4,2912 0,187576373518924
91667711 FOR2T39067 mol2, pdbqt 254,38 0,19907 66,4 -3,558 315,412 3,0745 4 2 0 -28,143 0,402586817349023
91667712 8R3S7642R4 mol2, pdbqt 50,85 0,90737 75,89 0,022 59,0717 -1,7184 3 3 0 -3,4523 0,409653377090742
91667715 939YP1ZX38 mol2, pdbqt 363,6 0,36031 173,51 -3,327 525,541 -0,2869 12 2 2 0,9985 0,203770461645171
91667725 7DGN46W6A9 mol2, pdbqt 348,98 0,26752 134,73 -3,788 470,605 2,9913 7 2 0 -17,827 0,198321957146523
91667728 2U7S2HVO96 mol2, pdbqt 365,65 0,52042 254,68 -0,605 492,48 -5,3098 15 8 2 1,1353 0,664621251286248
91667730 4GLG63A60A mol2, pdbqt 859,07 0,55749 621,55 0,644 1251 -15,816 39 18 3 -47,93 0,249589650962735
91667734 8YIV775V30 mol2, pdbqt 234,07 0,25527 71,39 -2,301 347,41 0,8484 6 2 0 1,952 0,839003492868592
91667740 HVV1173KQT mol2, pdbqt 217,41 0,22248 64,71 -2,27 273,331 1,183 4 2 0 0,1699 0,716681801328156
These data are only available for scientific research purposes.