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Records 1821 to 1840 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174550 BDB-kin174715.mol2, BDB-kin174715.pdbqt 394,92 101,94 -5,792 524,595 2,1689 10 1 1 1,2888 0,405719836837073
174551 BDB-kin174716.mol2, BDB-kin174716.pdbqt 385,42 92,71 -6,687 520,607 2,9858 9 1 1 2,854 0,380654136605686
174552 BDB-kin174717.mol2, BDB-kin174717.pdbqt 395,92 92,71 -6,601 522,623 3,3404 9 1 1 1,19 0,339943329285426
174553 BDB-kin174718.mol2, BDB-kin174718.pdbqt 399,18 92,71 -6,957 534,634 3,3278 9 1 1 1,5688 0,33043181661216
174554 BDB-kin174719.mol2, BDB-kin174719.pdbqt 409,68 92,71 -6,871 536,65 3,7948 9 1 1 1,207 0,308745531762921
174555 BDB-kin174720.mol2, BDB-kin174720.pdbqt 388,36 92,71 -6,911 548,539 3,152 9 1 1 -24,877 0,178632560256359
174559 BDB-kin174723.mol2, BDB-kin174723.pdbqt 319,38 96,98 -5,265 425,487 1,7452 9 1 0 1,253 0,534780380929239
174562 BDB-kin174724.mol2, BDB-kin174724.pdbqt 358,36 109,01 -4,742 468,556 1,2695 10 2 0 3,0097 0,601248624997116
174563 BDB-kin174725.mol2, BDB-kin174725.pdbqt 386,83 92,02 -4,372 495,626 1,4897 10 1 0 5,0457 0,613894263356597
174564 BDB-kin174727.mol2, BDB-kin174727.pdbqt 336,75 88,78 -4,949 438,53 1,7899 9 1 0 3,3458 0,611146832836173
174565 BDB-kin174728.mol2, BDB-kin174728.pdbqt 350,51 88,78 -5,249 452,557 2,1962 9 1 0 3,3091 0,562193045478738
174566 BDB-kin174729.mol2, BDB-kin174729.pdbqt 351,01 88,78 -5,713 464,568 2,3196 9 1 0 3,4485 0,508095197072693
174567 BDB-kin174730.mol2, BDB-kin174730.pdbqt 388,53 98,01 -5,634 508,621 2,1816 10 1 1 1,6106 0,442145293395745
174568 BDB-kin174731.mol2, BDB-kin174731.pdbqt 364,77 88,78 -5,765 478,595 2,5143 9 1 0 4,4417 0,492441541450781
174569 BDB-kin174733.mol2, BDB-kin174733.pdbqt 374,27 98,01 -4,87 482,583 1,6974 10 1 0 2,8816 0,568568361465677
174570 BDB-kin174734.mol2, BDB-kin174734.pdbqt 372,58 117,46 -5,554 490,566 1,7436 11 2 1 4,1208 0,507737958661377
174571 BDB-kin174735.mol2, BDB-kin174735.pdbqt 364,52 131,87 -4,8 481,555 0,5221 11 2 1 4,3893 0,595485446232305
174572 BDB-kin174736.mol2, BDB-kin174736.pdbqt 361,51 88,78 -5,627 466,584 2,5555 9 1 0 4,6439 0,51493550748801
174573 BDB-kin174737.mol2, BDB-kin174737.pdbqt 394,92 122,17 -5,515 522,604 2,0022 11 2 2 2,6494 0,464552669095328
174574 BDB-kin174738.mol2, BDB-kin174738.pdbqt 349,81 105,6 -4,933 463,54 1,6457 10 1 0 2,8702 0,583240934362963
These data are only available for scientific research purposes.