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Records 2561 to 2580 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
245536 BDB-kin251651.mol2, BDB-kin251651.pdbqt 380,41 71,03 -6,462 501,629 4,2583 8 0 1 2,4796 0,214842625149223
245537 BDB-kin251652.mol2, BDB-kin251652.pdbqt 380,41 71,03 -6,462 501,629 4,2583 8 0 1 2,4796 0,214842625149223
245538 BDB-kin251653.mol2, BDB-kin251653.pdbqt 369,74 71,03 -6,615 493,581 3,9195 8 0 0 1,5407 0,211559083836175
245539 BDB-kin251654.mol2, BDB-kin251654.pdbqt 369,74 71,03 -6,09 493,581 3,5681 8 0 0 1,5407 0,234995108869132
245540 BDB-kin251655.mol2, BDB-kin251655.pdbqt 236,05 88,24 -5,409 332,366 1,9018 7 1 0 1,0385 0,335937522187081
245541 BDB-kin251656.mol2, BDB-kin251656.pdbqt 273,57 97,47 -5,33 376,419 1,7638 8 1 0 -2,6458 0,201956928350897
245542 BDB-kin251657.mol2, BDB-kin251657.pdbqt 363,39 71,03 -5,776 475,591 3,4673 8 0 0 2,8807 0,27520064038419
245543 BDB-kin251658.mol2, BDB-kin251658.pdbqt 369,74 71,03 -6,09 493,581 3,5681 8 0 0 1,5407 0,234995108869132
245544 BDB-kin251659.mol2, BDB-kin251659.pdbqt 395,63 73,83 -6,774 514,672 4,3173 8 1 1 2,3001 0,198639963466037
245546 BDB-kin251660.mol2, BDB-kin251660.pdbqt 369,74 71,03 -6,09 493,581 3,5681 8 0 0 1,5407 0,234995108869132
24654 BDB-kin111688.mol2, BDB-kin111688.pdbqt 276,11 98,91 -3,751 382,25 1,6537 7 4 0 5,4715 0,78630682667613
24656 BDB-kin111689.mol2, BDB-kin111689.pdbqt 121,35 28,68 -2,209 144,177 1,57 2 1 0 0,91015 0,813065014832326
24773 BDB-kin111690.mol2, BDB-kin111690.pdbqt 291,38 78,94 -4,512 373,459 2,3483 6 3 0 0,599 0,586415257548615
25013 BDB-kin111691.mol2, BDB-kin111691.pdbqt 336,43 137,14 -3,299 425,491 1,8279 10 3 0 -1,9228 0,435816102240575
25018 BDB-kin111692.mol2, BDB-kin111692.pdbqt 229,27 86,72 -4,223 313,38 2,3756 5 1 0 1,5085 0,704676615656639
25028 BDB-kin111693.mol2, BDB-kin111693.pdbqt 362,59 144,17 -4,488 513,645 1,3339 10 1 1 7,3525 0,351181408968698
25045 BDB-kin111694.mol2, BDB-kin111694.pdbqt 256,38 84,51 -5,694 348,361 2,5871 7 1 0 1,1336 0,522211314899923
25084 BDB-kin111695.mol2, BDB-kin111695.pdbqt 252,16 144,06 -5,175 346,349 1,9922 8 4 0 -1,7657 0,379624939975506
25116 BDB-kin111696.mol2, BDB-kin111696.pdbqt 221,07 69,62 -5,349 281,362 2,3935 5 1 0 1,4959 0,599094094015631
25117 BDB-kin111697.mol2, BDB-kin111697.pdbqt 299,93 95,97 -4,87 386,478 3,4441 5 2 0 3,4513 0,61852127293714
These data are only available for scientific research purposes.