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Records 2081 to 2100 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
178295 BDB-kin178439.mol2, BDB-kin178439.pdbqt 511,66 170,81 -7,104 723,828 3,2535 15 2 2 4,2539 0,271059249947148
178296 BDB-kin178440.mol2, BDB-kin178440.pdbqt 510,83 154,59 -6,999 703,773 3,8948 15 2 2 0,43702 0,212654652627685
178297 BDB-kin178441.mol2, BDB-kin178441.pdbqt 394,92 121,81 -5,972 547,589 3,0988 11 2 2 -0,96257 0,258756504092867
178298 BDB-kin178442.mol2, BDB-kin178442.pdbqt 394,92 121,81 -5,972 547,589 3,0988 11 2 2 1,4123 0,365749894452012
178299 BDB-kin178443.mol2, BDB-kin178443.pdbqt 408,68 121,81 -6,797 561,616 3,8565 11 2 2 1,3795 0,298772943481261
178300 BDB-kin178444.mol2, BDB-kin178444.pdbqt 394,92 121,81 -5,972 547,589 3,0988 11 2 2 1,4123 0,365749894452012
178301 BDB-kin178445.mol2, BDB-kin178445.pdbqt 432,85 137,6 -7,642 600,653 3,8274 12 3 2 1,4802 0,262394283823447
178302 BDB-kin178446.mol2, BDB-kin178446.pdbqt 467,76 134,28 -6,978 646,722 3,4439 13 2 2 0,94146 0,2523314426292
178303 BDB-kin178447.mol2, BDB-kin178447.pdbqt 387,22 126,35 -5,553 525,604 3,0096 11 2 2 -11,649 8,22102197731494E-02
178304 BDB-kin178448.mol2, BDB-kin178448.pdbqt 430,94 131,04 -6,815 591,642 3,7865 12 2 2 -0,6512 0,211748630209914
178305 BDB-kin178449.mol2, BDB-kin178449.pdbqt 431,96 134,7 -6,584 590,658 3,9255 12 2 2 1,3795 0,172515948397124
178306 BDB-kin178450.mol2, BDB-kin178450.pdbqt 425,11 134,7 -5,806 560,657 3,7932 12 2 2 2,4169 0,220850356097996
178307 BDB-kin178451.mol2, BDB-kin178451.pdbqt 401,09 134,7 -6,274 544,614 3,1934 12 2 2 0,61313 0,319607421555165
178308 BDB-kin178452.mol2, BDB-kin178452.pdbqt 425,61 134,7 -6,27 572,668 3,8247 12 2 2 0,61313 0,172184584653114
178309 BDB-kin178453.mol2, BDB-kin178453.pdbqt 333,47 117,71 -4,766 440,502 2,0874 10 3 0 1,0879 0,554360892319409
178310 BDB-kin178454.mol2, BDB-kin178454.pdbqt 274,06 115,49 -3,751 370,412 0,9216 9 2 0 0,25844 0,629100397884162
178311 BDB-kin178455.mol2, BDB-kin178455.pdbqt 358,33 108,92 -4,704 468,556 2,7466 10 2 0 2,6289 0,576847743951358
178312 BDB-kin178456.mol2, BDB-kin178456.pdbqt 337,16 108,92 -4,217 440,502 2,1239 10 2 0 5,7828 0,410840212982001
178313 BDB-kin178457.mol2, BDB-kin178457.pdbqt 369,33 108,92 -5,082 482,583 3,0713 10 2 0 2,7394 0,521335401805259
178314 BDB-kin178458.mol2, BDB-kin178458.pdbqt 369,83 108,92 -5,546 494,594 3,1028 10 2 0 3,0463 0,473312958729674
These data are only available for scientific research purposes.