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Records 1441 to 1460 of 1515
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
102591 BDB-cJNK102591.mol2, BDB-cJNK102591.pdbqt 407,48 108,54 -5,401 517,632 3,6288 10 1 1 -6,1499 0,228301966254083
50358522 BDB-cJNK50358522.mol2, BDB-cJNK50358522.pdbqt 304,75 86,47 -6,406 417,386 4,208 6 2 0 -8,73 0,104848271118782
15938 BDB-cJNK15938.mol2, BDB-cJNK15938.pdbqt 326,99 148,59 -4,893 413,433 1,5654 10 3 0 -3,8972 0,199869462002219
100450 BDB-cJNK100450.mol2, BDB-cJNK100450.pdbqt 397,75 123,32 -5,8 552,053 3,5968 9 1 1 6,8918 0,397937571011673
50089237 BDB-cJNK50089237.mol2, BDB-cJNK50089237.pdbqt 290,88 90,46 -4,244 372,471 1,9281 8 2 0 3,9135 0,741208479831657
100534 BDB-cJNK100534.mol2, BDB-cJNK100534.pdbqt 355,82 114,01 -6,929 495,002 4,2957 7 2 0 7,2839 0,356068846725646
102597 BDB-cJNK102597.mol2, BDB-cJNK102597.pdbqt 443,43 112,05 -5,316 593,794 3,8735 10 1 1 9,805 0,388311855085986
50211434 BDB-cJNK50211434.mol2, BDB-cJNK50211434.pdbqt 299,7 83,14 -5,066 399,881 3,6758 7 2 0 -1,5611 0,344465405820116
16005 BDB-cJNK16005.mol2, BDB-cJNK16005.pdbqt 299,16 99,61 -4,68 391,43 2,6914 8 3 0 1,2 0,214368931137123
100472 BDB-cJNK100472.mol2, BDB-cJNK100472.pdbqt 341,03 65,54 -6,945 458,948 4,4488 6 1 0 4,4606 0,370411546789116
50433916 BDB-cJNK50433916.mol2, BDB-cJNK50433916.pdbqt 160,2 45,75 -4,482 220,231 2,4774 3 1 0 3,0336 0,270816102086903
100535 BDB-cJNK100535.mol2, BDB-cJNK100535.pdbqt 359,53 97,02 -5,941 494,018 4,0932 7 1 0 9,6196 0,416090503830474
100543 BDB-cJNK100543.mol2, BDB-cJNK100543.pdbqt 335,43 67,23 -6,12 456,451 3,3717 6 1 0 5,342 0,464346853550055
50340600 BDB-cJNK50340600.mol2, BDB-cJNK50340600.pdbqt 333,01 109,67 -5,107 439,482 1,9496 10 2 0 5,236 0,216369787723683
50089232 BDB-cJNK50089232.mol2, BDB-cJNK50089232.pdbqt 321,56 99,25 -5,85 412,536 2,5324 8 3 0 -1,8573 0,308372442179687
50211440 BDB-cJNK50211440.mol2, BDB-cJNK50211440.pdbqt 301 87,45 -5,378 399,885 2,1957 8 2 0 6,7323 0,603877092795342
100473 BDB-cJNK100473.mol2, BDB-cJNK100473.pdbqt 313,36 78,09 -6,704 428,878 4,2069 6 2 0 4,1443 0,411122860118129
50178837 BDB-cJNK50178837.mol2, BDB-cJNK50178837.pdbqt 280,42 80,05 -5,934 356,384 3,8864 6 2 0 1,2532 0,461604051086499
50338265 BDB-cJNK50338265.mol2, BDB-cJNK50338265.pdbqt 270,77 111,8 -5,778 414,286 3,2333 6 2 0 -1,8688 0,299946863046705
50373206 BDB-cJNK50373206.mol2, BDB-cJNK50373206.pdbqt 324,91 55,84 -5,434 478,341 4,7849 5 0 0 -0,57136 0,172825170522798
These data are only available for scientific research purposes.