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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4272 4272.mol2, BDB-kin4272.pdbqt 166,01 123,47 -0,995 224,196 -1,0954 6 1 0 -8,6625 0,105047450155817
4273 4273.mol2, BDB-kin4273.pdbqt 182,86 76,68 -3,286 211,223 1,5515 4 1 0 -7,2584 0,161332485580272
4274 4274.mol2, BDB-kin4274.pdbqt 129,72 76,26 -1,043 144,137 -0,1025 4 1 0 -7,8725 0,490595992515007
4275 4275.mol2, BDB-kin4275.pdbqt 171,14 72,88 -3,792 200,265 2,325 2 0 0 -8,821 0,422573798301972
4276 4276.mol2, BDB-kin4276.pdbqt 170 56,81 -3,276 202,188 1,8786 3 0 0 -10,356 0,446243832623338
4277 4277.mol2, BDB-kin4277.pdbqt 220,08 111,01 -3,149 259,271 0,8079 5 2 0 -6,2379 0,451277565470772
4278 4278.mol2, BDB-kin4278.pdbqt 131,08 60,72 -2,626 144,133 1,0365 3 0 0 -9,2412 0,282612574292837
4279 4279.mol2, BDB-kin4279.pdbqt 163,1 71,37 -3,717 179,182 1,6834 3 0 0 -9,1398 0,433421358457467
4280 4280.mol2, BDB-kin4280.pdbqt 129,72 76,26 -1,541 144,137 -0,2046 4 1 0 -5,4175 0,489800615097292
4281 4281.mol2, BDB-kin4281.pdbqt 176,37 83,86 -2,535 216,264 1,3534 3 0 0 -8,5697 0,466772876418552
4282 4282.mol2, BDB-kin4282.pdbqt 165,56 63,37 -3,469 193,209 1,8872 3 1 0 -8,5023 0,440452188181795
4283 4283.mol2, BDB-kin4283.pdbqt 239,23 50,82 -4,652 285,349 3,2997 3 0 0 -5,8763 0,353965775266532
4284 4284.mol2, BDB-kin4284.pdbqt 166,32 88,04 -2,4 212,208 1,261 4 2 0 -10,257 0,281886620390385
4285 4285.mol2, BDB-kin4285.pdbqt 168,01 117,14 -1,969 227,179 -0,4445 6 3 0 -6,0246 0,287821254046991
4286 4286.mol2, BDB-kin4286.pdbqt 166,32 88,04 -2,4 212,208 1,261 4 2 0 -10,257 0,281886620390385
4287 4287.mol2, BDB-kin4287.pdbqt 161,66 96,91 -2,265 211,18 -0,0988 5 2 0 -6,0246 0,477121069843095
4288 4288.mol2, BDB-kin4288.pdbqt 172,76 88,12 -2,241 225,207 0,2595 5 1 0 -5,0987 0,477272048708335
4289 4289.mol2, BDB-kin4289.pdbqt 178,98 122,5 -3,021 240,178 -0,6747 7 1 0 -11,141 0,458913328508512
4290 4290.mol2, BDB-kin4290.pdbqt 183,92 106,14 -2,283 241,206 -0,1688 6 2 0 -5,9889 0,284374973397351
4291 4291.mol2, BDB-kin4291.pdbqt 155,31 76,68 -2,561 195,181 0,2469 4 1 0 -6,0303 0,473011286019564
These data are only available for scientific research purposes.