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Records 1201 to 1220 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
128723 BDB-kin136503.mol2, BDB-kin136503.pdbqt 196,04 106,75 -5,569 265,275 1,9074 6 3 0 0,73805 0,32550652488025
128737 BDB-kin136504.mol2, BDB-kin136504.pdbqt 217,65 113,08 -4,818 285,306 1,8331 7 2 0 -1,498 0,431879669726325
128823 BDB-kin136505.mol2, BDB-kin136505.pdbqt 196,16 104,1 -6,086 266,259 2,7268 6 2 0 -1,0686 0,17476578747488
128824 BDB-kin136506.mol2, BDB-kin136506.pdbqt 196,16 104,1 -6,086 266,259 2,7268 6 2 0 -1,0686 0,13107434060616
12915 BDB-kin111628.mol2, BDB-kin111628.pdbqt 233,82 38,77 -5,432 307,348 3,4476 4 0 0 2,0905 0,573870805189802
130240 BDB-kin136507.mol2, BDB-kin136507.pdbqt 253,64 101,3 -5,548 347,377 2,4507 7 2 0 3,9198 0,291357166310255
130247 BDB-kin136508.mol2, BDB-kin136508.pdbqt 325,58 113,41 -5,251 443,51 2,3242 9 2 0 7,2338 0,277587102489213
130679 BDB-kin136510.mol2, BDB-kin136510.pdbqt 334,64 127,4 -5,489 445,525 2,3544 9 2 0 -0,050265 0,197433538883284
130695 BDB-kin136511.mol2, BDB-kin136511.pdbqt 295,37 93,54 -4,975 402,457 2,2979 8 1 0 2,0805 0,291556694140519
131884 BDB-kin136512.mol2, BDB-kin136512.pdbqt 307,93 87,55 -4,477 415,5 2,4073 8 1 0 7,5817 0,326813053827939
13216 BDB-kin111629.mol2, BDB-kin111629.pdbqt 361,62 134,75 -4,701 488,014 3,6259 9 3 0 8,0376 0,195597519307076
132537 BDB-kin136513.mol2, BDB-kin136513.pdbqt 339,94 104,62 -5,275 469,547 2,7821 9 1 0 7,8462 0,259765679793426
13336 BDB-kin111630.mol2, BDB-kin111630.pdbqt 280,96 77,85 -5,242 377,442 3,5687 4 1 0 -0,19517 0,427933121175584
134768 BDB-kin136717.mol2, BDB-kin136717.pdbqt 275,1 101,38 -4,812 374,403 2,024 8 1 0 5,4548 0,328691053058754
13530 BDB-kin111631.mol2, BDB-kin111631.pdbqt 389,91 86,28 -4,383 493,613 3,9383 8 2 0 8,6128 0,54592710101005
13533 BDB-kin111632.mol2, BDB-kin111632.pdbqt 414,82 80,65 -6,546 527,667 5,0942 8 2 2 1,6094 0,101515104355578
13534 BDB-kin111633.mol2, BDB-kin111633.pdbqt 349,97 127,37 -4,724 464,596 2,8359 9 3 0 10,423 0,596825047907848
13535 BDB-kin111634.mol2, BDB-kin111634.pdbqt 442,65 92,29 -5,592 562,712 4,8803 10 1 1 4,2568 0,340019525754712
135661 BDB-kin136719.mol2, BDB-kin136719.pdbqt 317,73 147,63 -4,552 433,471 0,755 10 3 0 1,8304 0,301762934018206
135681 BDB-kin136721.mol2, BDB-kin136721.pdbqt 317,57 96,14 -5,058 431,499 1,6201 9 1 0 9,4768 0,618971345015781
These data are only available for scientific research purposes.