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Records 281 to 300 of 321
 
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TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
784211-09-2 kin-784211-09-2.mol2, kin-784211-09-2.pdbqt 86,52 -5,188 473,359 2,5504 7 2 0 3,1188 0,539258144996392
78957-85-4 kin-78957-85-4.mol2, kin-78957-85-4.pdbqt 80,57 -3,38 284,766 1,6672 4 2 0 -5,1524 0,262477109899189
796967-16-3 kin-796967-16-3.mol2, kin-796967-16-3.pdbqt 95,83 -7,063 375,406 3,7895 6 4 0 0,30235 7,61029292682387E-02
82005-12-7 kin-82005-12-7.mol2, kin-82005-12-7.pdbqt 144,52 -6,358 516,544 4,633 8 5 1 -1,3931 0,166614423664426
82-08-6 kin-82-08-6.mol2, kin-82-08-6.pdbqt 112,37 -2,371 324,137 -0,756 7 4 0 0,39123 0,728584610089708
827022-33-3 kin-827022-33-3.mol2, kin-827022-33-3.pdbqt 103,35 -4,534 447,541 2,003 9 2 0 1,0162 0,338724117382263
83602-39-5 kin-83602-39-5.mol2, kin-83602-39-5.pdbqt 270,01 -3,664 1216,66 3,1702 23 4 2 6,7856 0,41683144307999
837422-57-8 kin-837422-57-8.mol2, kin-837422-57-8.pdbqt 92,29 -7,297 568,676 5,0067 10 1 2 2,2438 5,48504135743145E-02
84468-24-6 kin-84468-24-6.mol2, kin-84468-24-6.pdbqt 70,68 -1,497 277,347 0,7524 5 1 0 2,6119 0,914440310115436
84478-11-5 kin-84478-11-5.mol2, kin-84478-11-5.pdbqt 79,47 -1,765 265,336 0,4118 5 2 0 2,0945 0,896569619106907
849217-68-1 kin-849217-68-1.mol2, kin-849217-68-1.pdbqt 98,78 -6,978 501,513 4,0714 8 2 1 0,15767 0,277024249045356
850140-72-6 kin-850140-72-6.mol2, kin-850140-72-6.pdbqt 88,61 -5,476 485,946 3,6354 8 2 0 -0,79682 0,313906356536037
86562-09-6 kin-86562-09-6.mol2, kin-86562-09-6.pdbqt 195,35 -3,229 361,274 -3,2777 11 4 1 -8,5205 9,83315554938287E-02
866405-64-3 kin-866405-64-3.mol2, kin-866405-64-3.pdbqt 55,55 -5,212 399,497 2,6426 6 0 0 4,8443 0,366097686211821
870281-82-6 kin-870281-82-6.mol2, kin-870281-82-6.pdbqt 99,16 -6,049 415,431 2,858 8 2 0 1,6037 8,18985670843582E-02
87081-35-4 kin-87081-35-4.mol2, kin-87081-35-4.pdbqt 100,9 -5,283 540,738 7,3543 6 2 2 -1,5852 9,40892398416446E-02
871700-17-3 kin-871700-17-3.mol2, kin-871700-17-3.pdbqt 102,06 -7,248 615,398 3,6356 9 2 1 4,601 0,293803526048548
872511-34-7 kin-872511-34-7.mol2, kin-872511-34-7.pdbqt 95,09 -6,657 560,484 4,9771 10 2 1 5,647 4,99500971784165E-02
872573-93-8 kin-872573-93-8.mol2, kin-872573-93-8.pdbqt 107,89 -5,244 351,453 2,9502 4 1 0 3,4387 0,3719725147993
87414-49-1 kin-87414-49-1.mol2, kin-87414-49-1.pdbqt 113,29 -3,393 424,448 2,9833 7 3 0 -0,66112 0,297017157032057
These data are only available for scientific research purposes.