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 of 2794
Records 48061 to 48080 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
66587092 8LAW0NT30I mol2, pdbqt 382,42 0,2741 109,61 -4,154 481,547 1,8812 9 3 0 4,8031 0,644204958966839
66599892 SE030PF6VE mol2, pdbqt 356,16 0,20715 94,31 -5,993 453,54 4,1206 6 2 0 1,8158 0,197910721204901
66599893 W6I5QDT7QI mol2, pdbqt 356,16 0,20715 94,31 -5,993 453,54 4,1206 6 2 0 1,8158 0,197910721204901
66600935 X15906D285 mol2, pdbqt 269,64 0,17627 58,36 -2,73 358,268 2,6707 5 1 0 0,19196 0,140519139726786
66601477 92K78B4931 mol2, pdbqt 190,15 0,12942 32,59 -3,359 242,341 3,6623 2 1 0 -0,38832 0,565470855371982
66601885 H6YMB4FH7P mol2, pdbqt 215,96 0,16003 41,49 -3,157 271,787 2,5516 3 2 0 8,7771 0,520415120103517
66603288 90J4TG861K mol2, pdbqt 193,12 0,27242 64,6 -3,146 261,324 0,9808 5 3 0 5,5223 0,897351025059933
66603768 4KT1VE9Y64 mol2, pdbqt 193,12 0,27242 64,6 -3,146 261,324 0,9808 5 3 0 5,5223 0,897351025059933
66605028 KK68NU77HU mol2, pdbqt 209,99 0,22915 65,28 -2,85 248,325 1,4373 4 2 0 4,5107 0,726444424410922
66630041 4326S15UIP mol2, pdbqt 231,38 0,17339 40,43 -1,915 286,378 1,6773 5 0 0 4,2165 0,9200066693563
66630148 OKF652DU3A mol2, pdbqt 97,67 0,21972 21,26 -1,522 115,175 0,7902 2 1 0 0,90379 0,66623255812872
66645351 160DHE331M mol2, pdbqt 331,08 0,33484 144,81 -2,946 448,447 1,333 9 2 0 -2,4615 0,414389689262228
66646265 O6K1LG6N4D mol2, pdbqt 570,45 0,063353 46,53 -10,57 669,127 13,916 3 1 2 -21,949 7,00328122606296E-02
66648912 60C8D1C9UJ mol2, pdbqt 558,56 0,43544 329,77 1,197 741,749 -11,05 21 10 3 -20,71 0,262759014028401
66651586 XOM29I48X9 mol2, pdbqt 441,94 0,16586 83,86 -6,706 594,706 5,9496 8 2 2 4,6261 0,228141633240175
66651721 6F0M1W4D8T mol2, pdbqt 280,32 0,059182 20,31 -3,43 335,489 4,2936 2 0 0 3,6181 0,42422472455989
66661267 S3KFG6Q5X8 mol2, pdbqt 333,48 0,13974 59,32 -5,432 391,509 5,1291 4 0 1 -8,813 0,0493319607782
66661657 FX47K0HTP6 mol2, pdbqt 272,44 0,44799 170,02 -4,339 371,549 2,5076 5 3 0 9,8288 0,43660179984314
66661803 J6CX31E76T mol2, pdbqt 216,41 0,1597 41,49 -2,68 249,353 2,2495 3 2 0 4,2607 0,898469034714253
66666686 007OLM568L mol2, pdbqt 292,44 0,095199 27,05 -5,081 416,134 4,8504 3 0 0 4,7237 0,490432589590156
These data are only available for scientific research purposes.