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Records 1061 to 1080 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127350 BDB-kin13533.mol2, BDB-kin13533.pdbqt 329,67 86,01 -6,995 434,502 4,4967 7 0 0 -6,8855 0,122773331050185
127351 BDB-kin13534.mol2, BDB-kin13534.pdbqt 341,13 98,04 -7,212 449,517 3,9883 8 1 0 -4,7072 0,126582986084684
127352 BDB-kin13535.mol2, BDB-kin13535.pdbqt 352,23 89,25 -7,188 463,543 4,3466 8 0 0 -6,4948 0,11753205479777
127353 BDB-kin135661.mol2, BDB-kin135661.pdbqt 334,92 104,03 -7,508 454,464 4,1227 8 1 0 -6,8892 0,119989939843285
127354 BDB-kin135681.mol2, BDB-kin135681.pdbqt 346,02 95,24 -7,484 468,491 4,481 8 0 0 -8,1451 0,11170961012939
127355 BDB-kin136088.mol2, BDB-kin136088.pdbqt 327,33 116,92 -6,731 437,462 3,4777 9 1 0 -5,5492 0,141258457251425
127357 BDB-kin136090.mol2, BDB-kin136090.pdbqt 307,77 99,73 -6,213 409,452 2,8037 8 1 0 -2,3957 0,176893587661385
127358 BDB-kin136370.mol2, BDB-kin136370.pdbqt 318,87 90,94 -6,189 423,479 3,162 8 0 0 -4,1533 0,160020035234231
127359 BDB-kin136371.mol2, BDB-kin136371.pdbqt 392,32 97,31 -7,484 529,598 4,8081 8 1 1 1,6881 0,271295286767784
127360 BDB-kin136372.mol2, BDB-kin136372.pdbqt 403,42 88,52 -7,46 543,625 5,1664 8 0 2 0,37848 0,214985304666452
127361 BDB-kin136373.mol2, BDB-kin136373.pdbqt 290,01 83,04 -5,373 396,453 2,6616 7 2 0 2,6067 0,577043951791742
127362 BDB-kin136374.mol2, BDB-kin136374.pdbqt 325,97 65,46 -5,287 438,533 3,6791 7 0 0 6,4086 0,535294132897851
127363 BDB-kin136375.mol2, BDB-kin136375.pdbqt 343,72 82,53 -5,539 466,543 3,7839 8 0 0 4,9813 0,482856100037595
127364 BDB-kin136376.mol2, BDB-kin136376.pdbqt 339,96 91,76 -5,584 468,516 3,5327 9 0 0 0,75193 0,411729768341181
127365 BDB-kin136377.mol2, BDB-kin136377.pdbqt 341,42 94,56 -5,448 467,531 3,0585 9 1 0 4,7811 0,517652950605398
127366 BDB-kin136378.mol2, BDB-kin136378.pdbqt 355,18 94,56 -5,748 481,558 3,4648 9 1 0 4,9431 0,466494357242211
127367 BDB-kin136379.mol2, BDB-kin136379.pdbqt 354,72 82,53 -5,699 480,57 4,0022 8 0 0 4,1935 0,356494425870496
127368 BDB-kin136380.mol2, BDB-kin136380.pdbqt 366,28 85,77 -4,392 495,585 2,623 9 0 0 5,4285 0,595485529927485
127369 BDB-kin136381.mol2, BDB-kin136381.pdbqt 353,72 91,76 -5,884 482,542 3,939 9 0 0 -2,2963 0,238488126939625
127370 BDB-kin136382.mol2, BDB-kin136382.pdbqt 364,72 91,76 -6,262 496,569 4,2983 9 0 0 -7,6389 0,192343140115718
These data are only available for scientific research purposes.