• UNII FDA
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Records 1 to 20 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
1 07OP6H4V4A mol2, pdbqt 171,46 0,30754 66,84 0,132 204,245 -1,622 5 1 0 0,60742 0,809244098240706
4 UE40BY1BZW mol2, pdbqt 66,89 0,42413 46,25 -0,424 75,1105 -0,9147 2 2 0 -4,613 0,300084763351483
6 GE3IBT7BMN mol2, pdbqt 162,64 0,53775 83,48 -3,624 206,585 1,0684 6 4 0 -4,9392 0,441988911983375
11 55163IJI47 mol2, pdbqt 71,86 0 0 -1,786 98,9598 1,4358 0 0 0 -2,365 6,77810141067582E-02
13 05IQ959M1N mol2, pdbqt 119,52 0 0 -3,824 181,449 3,4776 0 0 0 -2,0851 5,71769150156559E-02
16 LIJ968E05S mol2, pdbqt 196,02 0,24997 58,2 -2,224 226,319 1,8026 4 2 0 -7,9588 0,467383634365235
19 70D5FBB392 mol2, pdbqt 110,06 0,47556 77,76 -1,037 154,121 0,4533 4 3 0 -1,8442 0,444545266144843
20 PUH669YNEK mol2, pdbqt 137,58 0,38043 77,76 -1,272 182,174 0,9058 4 3 0 -2,755 0,513783596956954
33 CF069F5D9C mol2, pdbqt 62,22 0,20958 17,07 -1,093 78,4978 0,0675 1 0 0 -4,3362 0,107588702413807
34 753N66IHAN mol2, pdbqt 62,79 0,20863 20,23 -0,878 80,5137 0,2798 1 1 0 -2,3006 6,96018126330035E-02
45 34T0025E0L mol2, pdbqt 80,55 0,81167 94,83 0,195 120,06 -2,1428 5 3 0 -2,5311 0,425911486720966
47 787T50HCIV mol2, pdbqt 106,13 0,36917 54,37 -1,081 130,142 0,2294 3 1 0 -5,5623 0,49204698579008
49 34P71D50E0 mol2, pdbqt 92,37 0,42416 54,37 -0,811 116,116 -0,225 3 1 0 -11,242 0,492498101606345
51 8ID597Z82X mol2, pdbqt 106,97 0,61064 91,67 -0,396 146,098 -1,2652 5 2 0 -10,941 0,493552423771891
58 B92RB6HY1A mol2, pdbqt 81,37 0,4815 54,37 -0,651 102,089 -0,4433 3 1 0 -6,3761 0,494505968869267
61 TZ4454O4YZ mol2, pdbqt 156,8 0,84554 190,44 3,337 266,035 -8,2808 10 5 0 -20,11 0,485712446404251
65 D489X4TQVD mol2, pdbqt 116,8 0,22432 40,46 -2,496 179,002 2,1802 2 2 0 -2,05 6,68065142738641E-02
66 3B11G9AKBA mol2, pdbqt 110,45 0,11861 20,23 -2,792 163,003 2,5259 1 1 0 -2,05 0,108970618003602
70 4GUJ8AH400 mol2, pdbqt 106,13 0,36917 54,37 -1,081 130,142 0,2294 3 1 0 -12,716 0,490173429836454
71 BB72FKL1M2 mol2, pdbqt 120,73 0,54104 91,67 -0,666 160,125 -0,8108 5 2 0 -15,474 0,491892495475141
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Records 1 to 20 of 55865
These data are only available for scientific research purposes.