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Records 4081 to 4100 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50401254 BDB-kin50427321.mol2, BDB-kin50427321.pdbqt 346,32 175,51 -5,147 480,936 1,0109 12 3 1 -3,2631 0,17556030582531
50401255 BDB-kin50427322.mol2, BDB-kin50427322.pdbqt 358,38 178,75 -4,326 507,962 0,7853 13 3 2 1,3352 0,327350605577
50401256 BDB-kin50427326.mol2, BDB-kin50427326.pdbqt 331,36 169,52 -4,259 465,925 0,9611 12 3 1 1,0006 0,34558848827042
50401257 BDB-kin50427453.mol2, BDB-kin50427453.pdbqt 308,8 166,28 -5,226 436,883 1,1034 11 3 1 1,8046 0,334911698847038
50401261 BDB-kin50427454.mol2, BDB-kin50427454.pdbqt 324,52 160,29 -4,977 470,344 1,6371 11 3 1 0,91742 0,30233379571315
50401262 BDB-kin50428107.mol2, BDB-kin50428107.pdbqt 308,8 166,28 -5,988 436,883 1,3574 11 3 1 1,8046 0,294076282070665
50401263 BDB-kin50428108.mol2, BDB-kin50428108.pdbqt 298,8 157,05 -5,813 420,884 1,4739 10 3 0 1,7687 0,308409680958967
50401265 BDB-kin50428109.mol2, BDB-kin50428109.pdbqt 336,12 169,52 -4,308 477,936 0,8553 12 3 1 1,8111 0,361057228921637
50401266 BDB-kin50428110.mol2, BDB-kin50428110.pdbqt 333,86 160,29 -4,919 463,953 1,7967 11 3 1 3,1789 0,352007249377719
50401268 BDB-kin50428111.mol2, BDB-kin50428111.pdbqt 300,8 157,05 -5,722 432,895 1,7749 10 3 0 2,5175 0,317844802509298
50401269 BDB-kin50428112.mol2, BDB-kin50428112.pdbqt 286,54 157,05 -5,208 406,857 1,1734 10 3 0 2,3907 0,361056388589143
50401270 BDB-kin50428113.mol2, BDB-kin50428113.pdbqt 340,39 157,05 -5,768 486,918 2,5246 10 3 0 -0,54956 0,199598351220498
50420703 BDB-kin50428114.mol2, BDB-kin50428114.pdbqt 352,67 143,46 -4,028 487,587 -0,7274 12 1 1 5,7459 0,660973363803305
50420714 BDB-kin50428115.mol2, BDB-kin50428115.pdbqt 340,41 143,46 -3,66 473,56 -1,1253 12 1 1 5,5452 0,705286959210134
50420719 BDB-kin50428116.mol2, BDB-kin50428116.pdbqt 369,87 143,46 -4,462 541,557 -0,223 12 1 2 -1,8965 0,316785202593839
50420730 BDB-kin50428117.mol2, BDB-kin50428117.pdbqt 355,83 143,46 -4,159 508,005 -0,4219 12 1 2 5,6283 0,624313968484821
50420737 BDB-kin50428118.mol2, BDB-kin50428118.pdbqt 359,04 143,46 -4,257 552,456 -0,3027 12 1 2 2,2452 0,536817005685839
50427319 BDB-kin50428119.mol2, BDB-kin50428119.pdbqt 320,8 108,59 -5,039 441,554 1,1057 8 2 0 2,6519 0,595145991573416
50427320 BDB-kin50428123.mol2, BDB-kin50428123.pdbqt 319,34 105,79 -5,175 442,538 1,2492 8 1 0 0,77439 0,504972671165424
50427321 BDB-kin50428124.mol2, BDB-kin50428124.pdbqt 281,82 96,56 -5,254 398,486 1,3872 7 1 0 2,8137 0,610297352797661
These data are only available for scientific research purposes.