• UNII FDA
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Records 49081 to 49100 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
71587002 1C22C0H3LY mol2, pdbqt 253,63 0,16871 60,77 -2,591 287,442 3,2341 4 2 0 -18,663 0,154183961333566
71587003 17DN142CTK mol2, pdbqt 308,67 0,13863 60,77 -3,671 343,55 5,0517 4 2 1 -18,663 0,111879361026858
71587004 8432OLU48W mol2, pdbqt 282,37 0,1996 75,43 -4,638 352,456 1,5132 5 2 0 1,6776 0,240793327676395
71587006 ZY7MZX91C8 mol2, pdbqt 546,28 0,33739 239,05 -4,419 809,943 0,9868 16 6 3 5,254 0,415228273758739
71587010 EXV825Z5QF mol2, pdbqt 297,84 0,34703 143,96 -1,806 428,481 1,2928 8 2 0 0,65974 0,196966463487079
71587012 6SF9P7078X mol2, pdbqt 246,73 0,14854 41,93 -2,425 313,396 3,1688 4 1 0 4,6712 0,850818483713623
71587013 W56S9O8P5Y mol2, pdbqt 145,82 0,35852 74,6 -1,664 200,233 0,6283 4 2 0 -4,54 0,486922882861211
71587014 A7GOS2Q106 mol2, pdbqt 219,54 0,34923 94,89 -1,386 298,301 -0,0485 7 2 0 8,3361 0,339649059476928
71587015 X5M0KIH62F mol2, pdbqt 209,31 0,064737 12,47 -3,516 271,402 3,1764 2 0 0 -0,33388 0,580364933375843
71587016 KVX46CFQ69 mol2, pdbqt 222,05 0,23274 71,98 -2,031 266,4 2,9797 4 1 0 -20,926 0,446108497677415
71587017 CGK541R25K mol2, pdbqt 429,53 0,43732 243,52 -3,212 638,573 -0,8581 16 8 3 -2,0983 0,178829185887223
71587018 5MPS47D679 mol2, pdbqt 137,04 0,19075 37,3 -1,873 164,203 1,4725 2 1 0 1,0491 0,499515908883243
71587019 6WZ3595RLZ mol2, pdbqt 92,83 0,54551 66,4 -0,226 117,104 -1,2154 4 2 0 -1,1482 0,614107611089867
71587020 75W388XI28 mol2, pdbqt 239,74 0,18241 46,67 -4,438 330,466 3,0024 3 0 0 0,4352 0,349584754417853
71587021 DRF395F9AY mol2, pdbqt 105,19 0,28225 40,54 0,683 118,155 -1,9936 3 1 0 -2,6524 0,529079691278082
71587022 NR381B8DF1 mol2, pdbqt 241,56 0,30282 98,39 -3,653 328,395 1,1995 6 2 0 6,3591 0,836119940373597
71587023 163J4O4DFH mol2, pdbqt 59,88 0,69155 63,32 -0,028 75,0667 -3,3504 3 2 0 -1,6721 0,345157131760071
71587024 RT7EO1X61Y mol2, pdbqt 33,03 0 0 -0,53 127,908 0 0 0 0 -1 0,625193730932556
71587025 MXW91G82T8 mol2, pdbqt 294,65 0,23373 94,91 -2,879 343,462 3,6339 6 2 0 -27,809 0,396959950910419
71587026 623BTB94FI mol2, pdbqt 175,33 0,13141 26,3 -3,013 196,289 3,1207 2 0 0 -17,452 0,346518974880871
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 of 2794
Records 49081 to 49100 of 55865
These data are only available for scientific research purposes.