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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439435 50439435.mol2, BDB-kin50439435.pdbqt 198,11 30,71 -3,766 253,279 2,2312 3 0 0 1,55 0,766347236785308
50439463 50439463.mol2, BDB-kin50439463.pdbqt 208,96 69,73 -3,393 272,355 1,1894 6 2 0 5,9388 0,151668452068402
50439464 50439464.mol2, BDB-kin50439464.pdbqt 208,96 69,73 -3,543 272,355 1,2113 6 2 0 4,0102 0,14868058526035
50439465 50439465.mol2, BDB-kin50439465.pdbqt 231,8 107,03 -3,178 316,364 -2,0295 8 3 0 4,4789 0,151856997237464
50439466 50439466.mol2, BDB-kin50439466.pdbqt 250,45 70,68 -2,73 345,466 2,086 5 1 0 2,1053 0,818797672348414
50439489 50439489.mol2, BDB-kin50439489.pdbqt 298,65 186,37 -2,358 450,395 -0,3361 11 7 2 -2,7224 0,336779804809361
50439490 50439490.mol2, BDB-kin50439490.pdbqt 299,19 186,37 -2,844 448,379 -0,0535 11 7 2 -3,3789 0,402729153453616
50439491 50439491.mol2, BDB-kin50439491.pdbqt 197,38 107,22 -2,958 286,238 1,9358 6 4 0 0,068583 0,674094294904858
50439511 50439511.mol2, BDB-kin50439511.pdbqt 304,89 97,2 -5,303 395,465 1,9388 9 2 0 4,0375 0,613823104587823
50439512 50439512.mol2, BDB-kin50439512.pdbqt 346,17 117,43 -4,956 453,545 2,1042 10 3 0 3,0495 0,58815706940185
50439513 50439513.mol2, BDB-kin50439513.pdbqt 367,78 137,66 -4,454 483,571 1,4335 11 4 1 2,2688 0,594582987273298
50439514 50439514.mol2, BDB-kin50439514.pdbqt 296,13 148,33 -2,598 400,442 -0,6012 11 3 1 0,78119 0,712767679747956
50439515 50439515.mol2, BDB-kin50439515.pdbqt 291,63 97,2 -4,941 393,45 1,1147 9 2 0 6,6149 0,6676598867771
50439516 50439516.mol2, BDB-kin50439516.pdbqt 330,91 97,2 -5,385 423,519 2,2775 9 2 0 4,4697 0,464276525653003
50439517 50439517.mol2, BDB-kin50439517.pdbqt 318,65 97,2 -5,017 409,492 1,8796 9 2 0 4,987 0,510022970871773
50439518 50439518.mol2, BDB-kin50439518.pdbqt 304,89 97,2 -4,747 395,465 1,4252 9 2 0 5,2929 0,683558385958487
50439519 50439519.mol2, BDB-kin50439519.pdbqt 319,89 84,31 -4,937 408,504 2,6726 8 2 0 3,1762 0,496743158091706
50439520 50439520.mol2, BDB-kin50439520.pdbqt 306,13 84,31 -4,667 394,477 2,2182 8 2 0 3,5219 0,673904947596971
50439521 50439521.mol2, BDB-kin50439521.pdbqt 307,65 97,2 -5,195 395,465 1,9561 9 2 0 1,5462 9,93826898321215E-02
50439522 50439522.mol2, BDB-kin50439522.pdbqt 318,65 97,2 -5,573 409,492 2,3932 9 2 0 3,7042 9,79986408153121E-02
These data are only available for scientific research purposes.