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Records 2921 to 2940 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50270042 BDB-kin50300082.mol2, BDB-kin50300082.pdbqt 218,96 49,77 -3,523 283,326 2,1129 4 1 0 1,5194 0,298002497137738
50274385 BDB-kin50300083.mol2, BDB-kin50300083.pdbqt 434,62 98,31 -5,612 558,152 5,627 7 1 2 3,8441 0,108103249806007
50294451 BDB-kin50300084.mol2, BDB-kin50300084.pdbqt 327,99 85,59 -5,947 454,407 3,6276 7 1 0 -5,9883 0,235421011822828
50300066 BDB-kin50300085.mol2, BDB-kin50300085.pdbqt 383,72 126,74 -5,887 520,592 2,2599 12 2 2 3,7248 0,445158681634041
50300067 BDB-kin50300086.mol2, BDB-kin50300086.pdbqt 429,98 139,63 -6,599 583,651 2,9677 13 2 2 2,8894 0,339707619854561
50300068 BDB-kin50300087.mol2, BDB-kin50300087.pdbqt 415,99 113,33 -5,818 553,669 2,4172 11 2 2 8,6302 0,42353108905455
50300069 BDB-kin50300088.mol2, BDB-kin50300088.pdbqt 344,2 97,2 -6,981 493,464 2,1318 9 2 0 -2,3218 0,225764932256709
50300070 BDB-kin50300089.mol2, BDB-kin50300089.pdbqt 368,85 110,09 -7,318 524,506 2,6589 10 2 1 -2,6012 0,198669821181623
50300071 BDB-kin50300090.mol2, BDB-kin50300090.pdbqt 397,48 126,74 -6,187 534,619 2,6662 12 2 2 3,2904 0,404649062421993
50300072 BDB-kin50300091.mol2, BDB-kin50300091.pdbqt 429,98 139,63 -6,599 583,651 2,9677 13 2 2 0,83862 0,296244495592256
50300073 BDB-kin50300092.mol2, BDB-kin50300092.pdbqt 410,74 126,74 -6,023 536,635 3,041 12 2 2 0,52398 0,336025657728477
50300074 BDB-kin50300093.mol2, BDB-kin50300093.pdbqt 357,35 110,09 -6,476 498,468 2,3027 10 2 0 -3,0131 0,226139051508658
50300075 BDB-kin50300094.mol2, BDB-kin50300094.pdbqt 368,85 110,09 -7,318 524,506 2,6589 10 2 1 -4,9716 0,187115129032402
50300076 BDB-kin50300095.mol2, BDB-kin50300095.pdbqt 322,59 97,2 -6,606 461,447 1,9511 9 2 0 -3,9461 0,234454011118611
50300077 BDB-kin50300096.mol2, BDB-kin50300096.pdbqt 399,74 126,74 -5,645 522,608 2,7163 12 2 2 0,16091 0,353563876317296
50300078 BDB-kin50300097.mol2, BDB-kin50300097.pdbqt 383,72 126,74 -5,887 520,592 2,2599 12 2 2 1,6909 0,415403902507975
50300079 BDB-kin50300098.mol2, BDB-kin50300098.pdbqt 429,48 139,63 -6,135 571,64 2,9362 13 2 2 4,4854 0,302727880257709
50300080 BDB-kin50300690.mol2, BDB-kin50300690.pdbqt 443,24 139,63 -6,435 585,667 3,3425 13 2 2 0,076239 0,263151263738219
50300081 BDB-kin50302275.mol2, BDB-kin50302275.pdbqt 332,7 97,2 -6,139 467,426 1,7756 9 2 0 -2,7535 0,257779411136668
50300082 BDB-kin50302276.mol2, BDB-kin50302276.pdbqt 397,48 126,74 -6,187 534,619 2,6662 12 2 2 1,2487 0,366117998939238
These data are only available for scientific research purposes.