• UNII FDA
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Records 49161 to 49180 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
71587106 59641533VV mol2, pdbqt 0   0 -0,53 18,0388 0 1 1 0 -1 0,226009610806455
71587107 9PL33P88UO mol2, pdbqt 420,83 0,20303 116,45 -5,94 588,823 4,767 7 4 1 -8,1564 0,156725136079965
71587109 E4R6108SYE mol2, pdbqt 328,76 0,15245 65,57 -7,148 686,12 2,4883 4 1 1 -97,3 0,145746009502878
71587110 G8D7K62A5F mol2, pdbqt 192,54 0,27641 76,57 -2,595 392,057 -1,2755 4 2 0 -84,58 0,427386155346456
71587111 AYR58U6FWN mol2, pdbqt 147,08 0,24239 55,87 -3,157 186,318 2,8319 1 0 0 -9,0416 0,436961384136672
71587112 FE1QQR929L mol2, pdbqt 147,08 0,24239 55,87 -3,157 186,318 2,8319 1 0 0 -9,0416 0,436961384136672
71587113 PFA6SYX6R4 mol2, pdbqt 1735,6 0,41202 922,33 -9,843 2355,33 -9,5865 57 34 3 -9,5729 0,125986449959293
71587115 89YL1620MV mol2, pdbqt 556,3 0,27805 201,67 -6,05 793 3,4145 13 6 3 -6,494 0,148402778650895
71587116 M8RN2OOG13 mol2, pdbqt 10 1 9,23 -0,53 18,0149 0 1 1 0 -1 0,135605826048597
71587117 UWM105BT7T mol2, pdbqt 88,31 0 0 -4,337 297,77 2,2924 0 0 0 -6,0866 0,118754931714668
71587119 V236ZVR3RL mol2, pdbqt 133,11 0,68845 138,45 0,564 196,154 -3,4954 7 6 1 2,049 0,929062536144093
71587120 7LN1X0A80V mol2, pdbqt 1237,1 0,44865 711,43 -5,757 1619,87 -8,5841 42 23 3 8,6894 0,329797002730141
71587121 0IQ3P295UA mol2, pdbqt 307,27 0,42474 154,67 -2,968 425,22 0,0153 10 5 0 -4,2146 5,27865155979493E-02
71587122 Z91PW7Q821 mol2, pdbqt 93,01 0 0 -2,62 207,319 0,5525 0 0 0 -1,47 0,12830102657161
71587123 5Z0O5Z0R6T mol2, pdbqt 173,98 0,62139 152,44 0,745 249,174 -4,322 9 4 0 -8,7211 0,312021931492721
71587124 173PDB321U mol2, pdbqt 1749,4 0,40878 922,33 -10,113 2369,36 -9,1321 57 34 3 -7,3024 0,125832391276558
71587126 5SN50S6QIV mol2, pdbqt 0   0 -0,53 33,9978 0 0 0 0 -1 0,376560970617228
71587127 9UDZ20RP30 mol2, pdbqt 2241,4 0,095619 238,09 -35,334 2457,9 55,412 19 0 3 -29,104 6,25000000039288E-02
71587128 KVF4175O54 mol2, pdbqt 335,83 0,22863 103,7 -4,399 385,543 5,138 6 3 1 -29,565 0,271054933013675
71587131 VX3T5G31XA mol2, pdbqt 709,73 0,032463 26,3 -13,197 733,342 21,201 2 0 2 -25,683 6,61006159537279E-02
Page 
 of 2794
Records 49161 to 49180 of 55865
These data are only available for scientific research purposes.