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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50441413 50441413.mol2, BDB-kin50441413.pdbqt 490,42 89,05 -7,402 635,738 5,7683 9 1 2 7,638 0,207455777657868
50441414 50441414.mol2, BDB-kin50441414.pdbqt 460,71 98,7 -7,232 611,647 5,602 9 1 2 1,5575 0,204662704638656
50441415 50441415.mol2, BDB-kin50441415.pdbqt 483,27 101,94 -6,115 640,689 4,8894 10 1 1 7,7036 0,275190031614619
50441416 50441416.mol2, BDB-kin50441416.pdbqt 464,36 107,93 -6,299 609,656 4,6792 10 1 1 1,4163 0,262112237571915
50441417 50441417.mol2, BDB-kin50441417.pdbqt 469,36 85,81 -8,445 606,696 6,479 8 1 2 0,72977 0,15575835407135
50441418 50441418.mol2, BDB-kin50441418.pdbqt 455,6 85,81 -8,175 592,669 6,137 8 1 2 1,5575 0,184045914509793
50441419 50441419.mol2, BDB-kin50441419.pdbqt 478,16 89,05 -7,058 621,711 5,4244 9 1 2 7,7036 0,230717047525986
50441518 50441518.mol2, BDB-kin50441518.pdbqt 267,42 187,47 -3,618 393,403 0,5245 10 3 0 -6,6641 0,399117681006876
50441535 50441535.mol2, BDB-kin50441535.pdbqt 231 93,21 -3,529 302,333 0,67 7 2 0 -4,5607 0,435602461102824
50441536 50441536.mol2, BDB-kin50441536.pdbqt 178,59 58,12 -3,094 230,27 0,8151 5 1 0 1,649 0,837300568583686
50441537 50441537.mol2, BDB-kin50441537.pdbqt 255,37 114,17 -3,874 328,375 0,1032 8 3 0 -2,5731 0,441665347516749
50441538 50441538.mol2, BDB-kin50441538.pdbqt 260,78 103,17 -4,148 340,386 0,3962 8 2 0 -3,9917 0,403157973919074
50441539 50441539.mol2, BDB-kin50441539.pdbqt 264,54 93,94 -5,037 338,414 1,5602 7 2 0 -1,7809 0,393404995338757
50441540 50441540.mol2, BDB-kin50441540.pdbqt 247,03 119,38 -4,492 321,343 -0,1057 8 3 0 -2,9209 0,403239898577225
50441541 50441541.mol2, BDB-kin50441541.pdbqt 189,59 58,12 -3,442 244,297 1,0922 5 1 0 0,4425 0,71108325284843
50441542 50441542.mol2, BDB-kin50441542.pdbqt 177,03 64,11 -3,424 231,254 1,1258 5 1 0 -0,79462 0,58197497449892
50441543 50441543.mol2, BDB-kin50441543.pdbqt 197,34 87,14 -3,119 260,296 0,1854 6 3 0 -4,3231 0,458575581097469
50441544 50441544.mol2, BDB-kin50441544.pdbqt 222,66 102,73 -4,105 284,322 0,3742 7 3 0 -4,7093 0,414203914790373
50441545 50441545.mol2, BDB-kin50441545.pdbqt 188,49 76,14 -2,847 246,269 0,0208 6 2 0 -2,2235 0,506718080042298
50441546 50441546.mol2, BDB-kin50441546.pdbqt 258,7 90,7 -5,919 331,378 2,0007 6 2 0 -5,1946 0,296983668819718
These data are only available for scientific research purposes.