• UNII FDA
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 of 2794
Records 48181 to 48200 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
67495709 4R3X0V37NN mol2, pdbqt 263,21 0,24957 92,71 -3,519 355,413 2,1885 5 1 0 -8,4059 0,326287965894123
67501411 PLO044MUDZ mol2, pdbqt 351,35 0,26412 109,44 -7,038 454,536 1,9502 9 1 0 4,705 0,44304660182922
67505836 013TE6E4WV mol2, pdbqt 634,22 0,23982 174,64 -9,427 889,014 7,5686 14 4 3 -12,907 2,46132295048389E-02
67521674 494197627D mol2, pdbqt 114,29 0,21008 29,96 -1,873 135,165 0,9278 2 0 0 -1,6695 0,558843742636265
67524038 6GV3WWI8WY mol2, pdbqt 118,01 0,63978 110,38 0,251 180,155 -2,6208 6 5 0 -3,7768 0,504361353355904
67532809 WNU5VQ8P00 mol2, pdbqt 120,47 0,55093 92 -0,38 155,156 -3,5054 5 3 0 -8,9499 0,493668530767057
67539781 6C61N9T83P mol2, pdbqt 262,22 0,19442 58,04 -3,734 332,41 2,3552 6 0 0 4,7918 0,806398093208254
67543819 512G4LZ98T mol2, pdbqt 119,62 0,30212 46,53 -1,461 152,149 1,2269 3 1 0 -3,8432 0,493860508102806
67544241 6B876Y4C8O mol2, pdbqt 66,51 0 0 -1,435 277,696 1,383 0 0 0 -2,3575 0,157161316200069
67583702 K7RO88SP7A mol2, pdbqt 158,07 0,33896 78,34 -2,232 194,233 0,3893 4 2 0 1,2274 0,845608826039433
67597876 XL7TMN05LH mol2, pdbqt 308,46 0,12968 36,92 -6,147 380,482 5,9644 4 0 1 -2,7085 0,190075099964417
67605056 E9Y1L4EYYL mol2, pdbqt 314,06 0,043145 12,47 -4,397 371,522 4,7199 2 0 0 4,791 0,351987854727424
67632359 029SOQ8920 mol2, pdbqt 199,63 0,19626 54,37 -4,062 254,284 2,7003 3 1 0 0,41431 0,640656166013624
67652146 2SDT9EV86W mol2, pdbqt 164,5 0,13337 25,78 -3,764 208,263 3,0874 2 0 0 -1,995 0,45806571742898
67660249 D12C11K0M0 mol2, pdbqt 320,8 0,60505 268,68 0,982 504,436 -6,4473 16 11 3 -4,7617 0,374351244961557
67668482 23D38XR59V mol2, pdbqt 274,92 0,41558 160,56 -2,788 396,552 1,1436 7 2 0 1,5003 0,759178231034003
67683363 KCU0C7RS7Z mol2, pdbqt 656,04 0,26233 193,1 -7,666 883,016 5,4394 16 4 3 -7,486 0,033705384272837
67706220 ULY64O130F mol2, pdbqt 405,25 0,056854 26,3 -8,243 506,812 9,4337 2 0 2 -9,1089 9,70848782885723E-02
67725295 E62RXW39EW mol2, pdbqt 187,73 0,6308 155,22 -2,063 283,243 -2,8064 10 5 0 1,4374 0,850657913685471
67732897 76WX3J5GER mol2, pdbqt 114,83 0,65697 107,22 -0,349 176,124 -2,4646 6 4 0 0,023806 0,741667756659179
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 of 2794
Records 48181 to 48200 of 55865
These data are only available for scientific research purposes.