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Records 2941 to 2960 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50300083 BDB-kin50302277.mol2, BDB-kin50302277.pdbqt 410,74 126,74 -6,023 536,635 3,041 12 2 2 0,52398 0,336025657728477
50300084 BDB-kin50302278.mol2, BDB-kin50302278.pdbqt 443,24 139,63 -6,435 585,667 3,3425 13 2 2 0,076239 0,263151263738219
50300085 BDB-kin50302279.mol2, BDB-kin50302279.pdbqt 311,09 97,2 -5,764 435,409 1,5949 9 2 0 -2,0338 0,304626007338131
50300086 BDB-kin50302280.mol2, BDB-kin50302280.pdbqt 418,59 126,74 -6,098 554,625 2,8154 12 2 2 -1,0055 0,252386547416734
50300087 BDB-kin50302281.mol2, BDB-kin50302281.pdbqt 383,22 126,74 -5,423 508,581 2,2284 12 2 2 5,2991 0,3984508441159
50300088 BDB-kin50302282.mol2, BDB-kin50302282.pdbqt 308,83 97,2 -6,336 447,42 1,6091 9 2 0 -0,4734 0,339763984353568
50300089 BDB-kin50302283.mol2, BDB-kin50302283.pdbqt 323,09 97,2 -7,1 473,458 2,1388 9 2 0 -1,0032 0,216100703294161
50300090 BDB-kin50302284.mol2, BDB-kin50302284.pdbqt 396,98 126,74 -5,723 522,608 2,6347 12 2 2 4,9193 0,362494907004316
50300091 BDB-kin50302285.mol2, BDB-kin50302285.pdbqt 355,09 110,09 -7,048 510,479 2,3169 10 2 1 -1,4412 0,235897009066149
50300092 BDB-kin50302286.mol2, BDB-kin50302286.pdbqt 323,09 97,2 -7,1 473,458 2,1388 9 2 0 -1,0032 0,216100703294161
50300093 BDB-kin50302287.mol2, BDB-kin50302287.pdbqt 308,83 97,2 -6,336 447,42 1,6091 9 2 0 -0,4734 0,339763984353568
50300094 BDB-kin50302288.mol2, BDB-kin50302288.pdbqt 426,49 113,33 -5,732 555,685 2,7104 11 2 2 9,9218 0,423022101486378
50300095 BDB-kin50302289.mol2, BDB-kin50302289.pdbqt 397,98 126,74 -6,651 546,63 2,7896 12 2 2 3,2593 0,295419972046196
50300096 BDB-kin50302290.mol2, BDB-kin50302290.pdbqt 418,59 126,74 -6,098 554,625 2,8154 12 2 2 -1,0055 0,252386547416734
50300097 BDB-kin50302291.mol2, BDB-kin50302291.pdbqt 322,59 97,2 -6,606 461,447 1,9511 9 2 0 -1,6198 0,268109167530124
50300098 BDB-kin50302292.mol2, BDB-kin50302292.pdbqt 355,09 110,09 -7,048 510,479 2,3169 10 2 1 -1,4412 0,235897009066149
50300690 BDB-kin50302293.mol2, BDB-kin50302293.pdbqt 423 134,4 -5,721 560,677 4,7979 10 2 1 1,8174 0,253696864349079
50302275 BDB-kin50303279.mol2, BDB-kin50303279.pdbqt 340,63 127,02 -3,752 445,478 1,4986 12 1 1 -3,4047 4,85407932969207E-02
50302276 BDB-kin50303280.mol2, BDB-kin50303280.pdbqt 356,54 116,02 -4,066 459,505 1,7743 12 0 1 -3,3956 4,56331922447313E-02
50302277 BDB-kin50303281.mol2, BDB-kin50303281.pdbqt 290,97 94,76 -2,506 383,407 1,6412 9 1 0 2,2115 0,810033067936281
These data are only available for scientific research purposes.