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Records 124481 to 124500 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50445951 50445951.mol2, BDB-kin50445951.pdbqt 270,39 80,45 -4,303 402,251 1,8899 7 0 0 -7,0111 0,360099718395866
50446088 50446088.mol2, BDB-kin50446088.pdbqt 291,02 137,67 -4,646 426,879 2,6013 7 2 0 3,3254 0,306125748561265
50446089 50446089.mol2, BDB-kin50446089.pdbqt 300,09 137,67 -5,068 443,334 3,1065 7 2 0 5,9954 0,27636583309047
50445150 50445150.mol2, BDB-kin50445150.pdbqt 233,87 84,14 -3,155 297,361 1,3664 6 2 0 1,5665 0,806401539329614
50445151 50445151.mol2, BDB-kin50445151.pdbqt 222,53 73,47 -3,137 287,386 2,4714 4 1 0 2,7935 0,840904098213891
50445152 50445152.mol2, BDB-kin50445152.pdbqt 264 102,57 -4,219 344,438 3,0231 6 2 0 3,8759 0,731162696289709
50445226 50445226.mol2, BDB-kin50445226.pdbqt 228,41 69,14 -5,771 302,332 3,608 4 3 0 -0,27805 0,405907891976536
50445227 50445227.mol2, BDB-kin50445227.pdbqt 241,11 109,6 -5,179 334,33 2,9166 6 5 0 -0,27805 0,462188210943073
50445228 50445228.mol2, BDB-kin50445228.pdbqt 241,11 109,6 -5,179 334,33 2,9166 6 5 0 -0,27805 0,462188210943073
50445229 50445229.mol2, BDB-kin50445229.pdbqt 241,11 109,6 -5,179 334,33 2,9166 6 5 0 -0,27805 0,462188210943073
50445230 50445230.mol2, BDB-kin50445230.pdbqt 234,76 89,37 -5,475 318,331 3,2623 5 4 0 -0,27805 0,26077752028138
50445231 50445231.mol2, BDB-kin50445231.pdbqt 228,41 69,14 -5,771 302,332 3,608 4 3 0 -0,27805 0,243544735185921
50445232 50445232.mol2, BDB-kin50445232.pdbqt 234,76 89,37 -5,475 318,331 3,2623 5 4 0 -0,27805 0,26077752028138
50445233 50445233.mol2, BDB-kin50445233.pdbqt 228,41 69,14 -5,771 302,332 3,608 4 3 0 -0,27805 0,405907891976536
50445234 50445234.mol2, BDB-kin50445234.pdbqt 260,23 47,14 -6,399 330,386 4,1594 4 1 0 -0,246 0,344831318283216
50445235 50445235.mol2, BDB-kin50445235.pdbqt 304,75 65,6 -6,435 390,438 4,0194 6 1 0 -0,246 0,331182493196127
50445236 50445236.mol2, BDB-kin50445236.pdbqt 304,75 65,6 -6,435 390,438 4,0194 6 1 0 -0,246 0,331182493196127
50445237 50445237.mol2, BDB-kin50445237.pdbqt 304,75 65,6 -6,435 390,438 4,0194 6 1 0 -0,246 0,331182493196127
50445238 50445238.mol2, BDB-kin50445238.pdbqt 282,49 56,37 -6,417 360,412 4,0894 5 1 0 -0,246 0,339184313797237
50445239 50445239.mol2, BDB-kin50445239.pdbqt 282,49 56,37 -6,417 360,412 4,0894 5 1 0 -0,246 0,339184313797237
These data are only available for scientific research purposes.