• UNII FDA
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Records 41 to 60 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
135 JG8Z55Y12H mol2, pdbqt 103,71 0,37836 57,53 -1,333 138,122 0,799 3 2 0 -1,8442 0,332088670048532
174 FC72KVT52F mol2, pdbqt 53,72 0,48771 40,46 0,03 62,0676 -0,8762 2 2 0 -2,2456 7,04901436775912E-02
175 569DQM74SC mol2, pdbqt 49,86 0,52427 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514
176 Q40Q9N063P mol2, pdbqt 49,86 0,52427 37,3 -0,459 60,0518 -0,2991 2 1 0 -2,2628 0,116966257604514
177 GO1N1ZPR3B mol2, pdbqt 45,3 0,28786 17,07 -0,692 44,0528 -0,1618 1 0 0 -2,27 7,00495617995964E-02
178 8XOE1JSO29 mol2, pdbqt 52,03 0,54411 43,09 -0,535 59,0677 -0,6969 2 1 0 -1,3108 0,129646148477763
179 BG4D34CO2H mol2, pdbqt 74,62 0,35031 37,3 -0,777 88,1055 -0,1888 2 1 0 -2,381 0,535004885833594
180 1364PS73AF mol2, pdbqt 55,77 0,23382 17,07 -0,906 58,0796 0,3786 1 0 0 -2,5577 0,06838495242942
187 N9YNS0M02X mol2, pdbqt 134,86 0,19717 29,54 0,255 146,209 -1,1594 3 0 0 2,631 0,956087746964748
190 JAC85A2161 mol2, pdbqt 102,23 0,60814 80,48 -2,269 135,13 -0,347 5 2 0 -0,021492 9,30869361811506E-02
196 76A0JE0FKJ mol2, pdbqt 116,74 0,44783 74,6 -1,014 146,141 0,2422 4 2 0 -12,805 0,176346874343703
199 70J407ZL5Q mol2, pdbqt 117,07 0,48962 90,42 -1,263 130,194 -1,2024 4 3 0 -0,96519 0,626180610021127
203 02WGT7SHWJ mol2, pdbqt 125,56 0,84167 147,54 -0,84 176,132 -3,1577 8 5 0 -2,0235 0,548439422160184
204 344S277G0Z mol2, pdbqt 108,65 0,81703 113,32 -1,109 158,117 -2,0783 7 4 0 2,9576 0,957295988782347
215 ZB4ES38S4R mol2, pdbqt 65,79 0,43031 43,09 -0,475 73,0946 -0,9459 2 1 0 -3,5887 0,305110117947185
223 54S68520I4 mol2, pdbqt 0   0 -0,53 18,0388 0 1 1 0 -1 0,226009610806455
227 0YS975XI6W mol2, pdbqt 105,88 0,3911 63,32 -1,705 137,138 0,4674 3 2 0 -1,5411 0,123326907715982
232 FL26NTK3EP mol2, pdbqt 139,91 0,59653 127,72 -1,116 174,203 -4,0701 6 4 0 -12,05 0,490071932866386
234 N7CIZ75ZPN mol2, pdbqt 52,34 1 77,76 3,28 141,942 0,3317 4 3 0 -1,5793 7,50044693561326E-02
237 H0C805XYDE mol2, pdbqt 318,74 0,11288 37,39 -5,578 399,964 5,256 4 1 1 6,4856 0,124224181949359
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Records 41 to 60 of 55865
These data are only available for scientific research purposes.