• Drug Bank
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 of 344
Records 1741 to 1760 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB02047 mol2, pdbqt 181,88 -4,048 226,274 3,2295 2 1 0 0,21346 0,608638606164458 BBB+ HIA+ Caco2+
DB02048 mol2, pdbqt 88,48 -0,659 112,116 -1,3116 5 2 0 3,2975 0,970378007603179 BBB+ HIA+ Caco2-
DB02049 mol2, pdbqt 298,29 -5,703 425,888 2,3482 7 2 0 -0,19362 0,399172188451392 BBB+ HIA+ Caco2-
DB02051 mol2, pdbqt 490,99 -7,702 645,731 5,5088 11 2 3 -19,222 0,104912013683767 BBB+ HIA- Caco2-
DB02052 mol2, pdbqt 198,93 -4,176 277,282 1,7888 5 3 0 2,5525 0,7752159791702 BBB+ HIA+ Caco2-
DB02053 mol2, pdbqt 149,82 1,782 230,108 -6,0345 8 5 0 -24,776 0,490284476907738 BBB+ HIA- Caco2-
DB02054 mol2, pdbqt 105,88 -1,705 137,138 0,4674 3 2 0 -1,5411 0,570957906092513 BBB+ HIA+ Caco2+
DB02055 mol2, pdbqt 166,84 -2,009 213,3 2,1001 3 1 0 -7,9535 0,468097321481198 BBB+ HIA+ Caco2-
DB02057 mol2, pdbqt 139,2 -1,235 186,166 -2,6388 6 3 0 -10,899 0,488639527232696 BBB- HIA+ Caco2-
DB02058 mol2, pdbqt 256,78 -3,285 335,406 2,376 5 1 0 4,0677 0,831090835233505 BBB+ HIA+ Caco2-
DB02059 mol2, pdbqt 344,37 0,075 559,317 -7,9267 19 8 3 -30,195 0,33126750624363 BBB+ HIA- Caco2-
DB02060 mol2, pdbqt 86,55 -1,802 98,1444 1,3436 1 0 0 -9,3155 6,24841202645414E-02 BBB+ HIA+ Caco2+
DB02061 mol2, pdbqt 219,82 0,551 342,296 -4,4579 11 8 2 -7,6104 0,279940466299753 BBB+ HIA- Caco2-
DB02062 mol2, pdbqt 314,51 -2,41 418,428 -1,1938 7 4 0 -18,085 0,416232369300849 BBB+ HIA- Caco2-
DB02063 mol2, pdbqt 285,4 -3,87 446,236 -0,1072 9 5 0 -1,1019 0,452711730175725 BBB+ HIA+ Caco2-
DB02065 mol2, pdbqt 214,73 0,152 326,297 -3,6058 10 7 1 -7,0551 0,471349220301077 BBB+ HIA- Caco2-
DB02066 mol2, pdbqt 196,74 -0,732 281,271 -2,4218 9 5 0 0,81385 0,811977321928026 BBB+ HIA+ Caco2-
DB02067 mol2, pdbqt 527,36 -3,628 731,674 -3,0755 22 12 3 -6,5425 0,238143470277216 BBB- HIA- Caco2-
DB02068 mol2, pdbqt 85,89 -0,838 118,155 -1,9872 3 2 0 -6,2418 0,494383467635789 BBB+ HIA+ Caco2-
DB02069 mol2, pdbqt 219,44 -3,157 308,332 1,3813 5 2 0 2,0966 0,829576517973621 BBB+ HIA+ Caco2-
Page 
 of 344
Records 1741 to 1760 of 6870
These data are only available for scientific research purposes.