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TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
10083-24-6 kin-10083-24-6.mol2, kin-10083-24-6.pdbqt 80,92 -2,568 244,245 2,4838 4 4 0 -1,6732 0,313789565866329
1009298-09-2 kin-1009298-09-2.mol2, kin-1009298-09-2.pdbqt 93,07 -5,601 465,552 2,4865 9 1 0 1,4071 0,470640755479456
1009820-21-6 kin-1009820-21-6.mol2, kin-1009820-21-6.pdbqt 75,11 -5,985 349,776 3,9716 5 2 0 -0,75006 0,203321062740218
101622-51-9 kin-101622-51-9.mol2, kin-101622-51-9.pdbqt 87,89 -3,363 298,349 1,0243 7 3 0 2,2784 0,832376912173483
101932-71-2 kin-101932-71-2.mol2, kin-101932-71-2.pdbqt 296,8 -3,689 1009,18 0,3674 19 8 3 -19,475 0,13372566288476
1032350-13-2 kin-1032350-13-2.mol2, kin-1032350-13-2.pdbqt 83,61 -7,24 407,476 3,8716 6 2 0 2,4505 0,404765473345177
1032900-25-6 kin-1032900-25-6.mol2, kin-1032900-25-6.pdbqt 113,62 -7,927 558,145 6,2583 8 3 2 1,315 0,191110087978176
103745-39-7 kin-103745-39-7.mol2, kin-103745-39-7.pdbqt 70,68 -1,767 291,374 1,0944 5 1 0 3,0027 0,912521187133151
1037624-75-1 kin-1037624-75-1.mol2, kin-1037624-75-1.pdbqt 97,78 -5,672 506,656 6,1299 8 2 2 4,2223 0,305766254298528
104196-68-1 kin-104196-68-1.mol2, kin-104196-68-1.pdbqt 51,43 -4,943 548,772 5,0796 5 1 2 -2,1459 0,168082245617357
1049738-54-6 kin-1049738-54-6.mol2, kin-1049738-54-6.pdbqt 97,93 -2,974 292,358 1,1604 5 1 0 -2,2621 0,490373039287142
105637-50-1 kin-105637-50-1.mol2, kin-105637-50-1.pdbqt 57,79 -3,298 324,831 2,7013 4 1 0 -1,3523 0,301195273211536
1056634-68-4 kin-1056634-68-4.mol2, kin-1056634-68-4.pdbqt 103,17 -4,795 414,468 2,5062 8 2 0 -1,8738 0,132076499091444
107019-95-4 kin-107019-95-4.mol2, kin-107019-95-4.pdbqt 95,63 -1,726 310,154 0,6699 6 3 0 -1,6521 0,539814910033635
108068-98-0 kin-108068-98-0.mol2, kin-108068-98-0.pdbqt 94,72 -7,87 537,614 6,2416 8 2 2 -9,4338 6,71917259377781E-02
1084893-56-0 kin-1084893-56-0.mol2, kin-1084893-56-0.pdbqt 100,78 -4,914 431,542 3,3307 8 3 0 3,3898 0,350276974651019
108605-62-5 kin-108605-62-5.mol2, kin-108605-62-5.pdbqt 73,12 -3,251 270,209 2,5535 4 2 0 -9,2555 0,431289440360368
108930-17-2 kin-108930-17-2.mol2, kin-108930-17-2.pdbqt 70,68 -1,875 291,374 1,0771 5 1 0 3,7299 0,921879524589163
109376-83-2 kin-109376-83-2.mol2, kin-109376-83-2.pdbqt 57,79 -3,578 416,278 2,5324 4 1 0 -1,1119 0,468617975417857
1110813-31-4 kin-1110813-31-4.mol2, kin-1110813-31-4.pdbqt 79,38 -6,017 469,947 4,7187 7 2 0 -0,60745 0,266933169862355
These data are only available for scientific research purposes.