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Records 125161 to 125180 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50449141 50449141.mol2, BDB-kin50449141.pdbqt 269,15 101,37 -3,443 360,848 1,0397 7 2 0 3,6988 0,822714675948833
50449142 50449142.mol2, BDB-kin50449142.pdbqt 254,43 81,06 -5,293 352,268 2,3588 5 2 0 5,5183 0,638530807866201
50449143 50449143.mol2, BDB-kin50449143.pdbqt 269,63 67,07 -5,277 366,295 2,6831 5 2 0 5,8498 0,625395032927944
50449204 50449204.mol2, BDB-kin50449204.pdbqt 263,67 65,5 -5,275 365,31 5,2446 6 1 1 -0,93934 0,302593433187725
50449205 50449205.mol2, BDB-kin50449205.pdbqt 250,58 56,27 -5,03 349,311 4,0034 5 1 0 -8,0642 0,300185673843132
50449207 50449207.mol2, BDB-kin50449207.pdbqt 245,64 56,27 -4,94 309,368 3,8429 5 1 0 -1,0042 0,242022557597466
50449208 50449208.mol2, BDB-kin50449208.pdbqt 251,13 73,34 -4,936 323,351 3,0263 6 1 0 -0,7879 0,265260559943689
50449287 50449287.mol2, BDB-kin50449287.pdbqt 377,28 84,27 -6,527 484,618 4,6941 5 0 0 -0,42103 0,150329357076616
50449288 50449288.mol2, BDB-kin50449288.pdbqt 272,96 67,2 -4,2 356,489 3,9657 4 0 0 1,104 0,356437552759963
50449289 50449289.mol2, BDB-kin50449289.pdbqt 369,48 101,15 -5,231 478,615 3,3194 7 0 0 -4,7697 0,157213839508172
50449290 50449290.mol2, BDB-kin50449290.pdbqt 333,69 127,2 -5,13 422,532 3,8354 7 1 0 -6,0475 8,01131652135658E-02
50449291 50449291.mol2, BDB-kin50449291.pdbqt 289,01 117 -4,169 404,465 2,1353 7 1 0 3,9877 0,719282150252915
50449292 50449292.mol2, BDB-kin50449292.pdbqt 301,29 117 -4,689 465,371 2,7597 7 1 0 3,5377 0,592920829857152
50449293 50449293.mol2, BDB-kin50449293.pdbqt 298,08 117 -4,591 420,92 2,6405 7 1 0 5,3769 0,657487968804735
50449294 50449294.mol2, BDB-kin50449294.pdbqt 290,29 117 -4,311 451,344 2,435 7 1 0 2,8035 0,640515204441764
50449295 50449295.mol2, BDB-kin50449295.pdbqt 287,08 117 -4,213 406,893 2,3158 7 1 0 4,6433 0,71256575934819
50449296 50449296.mol2, BDB-kin50449296.pdbqt 278,01 117 -3,791 390,438 1,8106 7 1 0 3,2535 0,761294840633446
50449297 50449297.mol2, BDB-kin50449297.pdbqt 287,08 117 -4,213 406,893 2,3158 7 1 0 4,6433 0,71256575934819
50449298 50449298.mol2, BDB-kin50449298.pdbqt 278,01 117 -3,791 390,438 1,8106 7 1 0 3,2535 0,761294840633446
50449299 50449299.mol2, BDB-kin50449299.pdbqt 282,66 117 -3,855 386,475 2,0345 7 1 0 5,3277 0,768456953341213
These data are only available for scientific research purposes.