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Records 3241 to 3260 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50315085 BDB-kin50315213.mol2, BDB-kin50315213.pdbqt 447,75 117,21 -6,107 576,7 3,1133 12 2 2 5,3846 4,84410035583516E-02
50315086 BDB-kin50315214.mol2, BDB-kin50315214.pdbqt 467,56 128,29 -5,878 615,737 3,2672 13 2 2 7,7379 4,64910464119336E-02
50315087 BDB-kin50315215.mol2, BDB-kin50315215.pdbqt 492,32 128,29 -6,496 643,79 3,6899 13 2 2 5,9037 3,93829493453736E-02
50315088 BDB-kin50315216.mol2, BDB-kin50315216.pdbqt 427,98 125,05 -6,309 560,657 3,1888 12 2 2 4,0476 0,048010738997354
50315089 BDB-kin50315217.mol2, BDB-kin50315217.pdbqt 439,77 120,87 -5,411 573,7 3,1115 12 2 2 4,9153 7,26860253428953E-02
50315090 BDB-kin50315218.mol2, BDB-kin50315218.pdbqt 441,01 107,98 -5,681 572,712 3,761 11 2 2 4,9153 4,95702936426778E-02
50315091 BDB-kin50315219.mol2, BDB-kin50315219.pdbqt 429,91 116,77 -6,043 558,685 3,5081 11 3 2 1,4642 4,47294105997777E-02
50315092 BDB-kin50315437.mol2, BDB-kin50315437.pdbqt 465,77 107,98 -6,299 600,765 4,1837 11 2 2 4,4621 4,07372985912677E-02
50315093 BDB-kin50315438.mol2, BDB-kin50315438.pdbqt 458,76 125,05 -5,288 600,722 3,7663 12 2 2 6,086 6,72650704932764E-02
50315094 BDB-kin50315439.mol2, BDB-kin50315439.pdbqt 360,91 117,63 -6,065 488,55 2,1721 11 2 1 3,3571 5,96894504571502E-02
50315095 BDB-kin50315440.mol2, BDB-kin50315440.pdbqt 374,17 117,63 -5,871 490,566 2,4826 11 2 1 2,1425 5,84901298350206E-02
50315096 BDB-kin50315441.mol2, BDB-kin50315441.pdbqt 365,37 114,39 -5,281 475,551 2,9817 10 2 0 0,6116 0,075391730259506
50315097 BDB-kin50315442.mol2, BDB-kin50315442.pdbqt 374,17 117,63 -5,871 490,566 2,4826 11 2 1 2,1425 5,84901298350206E-02
50315098 BDB-kin50315443.mol2, BDB-kin50315443.pdbqt 448,57 124,11 -6,001 588,715 2,6124 13 2 2 6,5794 4,94419662417508E-02
50315099 BDB-kin50315444.mol2, BDB-kin50315444.pdbqt 449,81 111,22 -6,271 587,727 3,2619 12 2 2 6,5794 4,59671462163034E-02
50315209 BDB-kin50315445.mol2, BDB-kin50315445.pdbqt 450,81 111,22 -7,199 611,749 3,3249 12 2 2 6,576 0,03960266092615
50315210 BDB-kin50315446.mol2, BDB-kin50315446.pdbqt 423,29 111,22 -6,659 583,695 2,6409 12 2 2 7,9211 4,55899065476315E-02
50315211 BDB-kin50315447.mol2, BDB-kin50315447.pdbqt 423,29 111,22 -6,659 583,695 2,6409 12 2 2 7,9211 4,55899065476315E-02
50315212 BDB-kin50315448.mol2, BDB-kin50315448.pdbqt 450,81 111,22 -7,199 611,749 3,3249 12 2 2 5,0999 3,95101454823977E-02
50315213 BDB-kin50315449.mol2, BDB-kin50315449.pdbqt 300,74 81,43 -2,894 417,419 2,3362 9 0 0 -1,513 6,05154074056095E-02
These data are only available for scientific research purposes.