• Drug Bank
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 of 344
Records 2961 to 2980 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
DB03360 mol2, pdbqt 118,19 -0,628 157,168 -0,2395 4 1 0 2,6282 0,950069826592451 BBB+ HIA+ Caco2+
DB03361 mol2, pdbqt 299,86 0,196 468,363 -5,4209 12 5 1 -25,259 0,397343527836464 BBB+ HIA- Caco2-
DB03362 mol2, pdbqt 148,48 -0,339 174,243 -3,4482 4 2 0 -15,277 0,492712151531708 BBB+ HIA+ Caco2-
DB03363 mol2, pdbqt 429,2 -1,608 663,448 -6,6787 20 7 3 -30,045 0,276258384079253 BBB+ HIA- Caco2-
DB03364 mol2, pdbqt 145,1 -1,512 192,238 -0,875 5 3 0 -8,8544 0,485991779601708 BBB+ HIA+ Caco2-
DB03365 mol2, pdbqt 227,47 -3,956 297,313 2,8094 6 2 0 -0,9075 0,51031117027288 BBB+ HIA+ Caco2+
DB03366 mol2, pdbqt 61,59 -0,431 68,0788 -0,1802 2 1 0 0,44659 0,286673759433575 BBB+ HIA+ Caco2-
DB03367 mol2, pdbqt 326,81 -6,147 428,511 4,1654 5 2 0 4,0604 0,444404537862849 BBB+ HIA+ Caco2-
DB03368 mol2, pdbqt 228,36 -4,829 310,308 1,5721 6 2 0 4,3629 0,431582354346611 BBB+ HIA+ Caco2-
DB03369 mol2, pdbqt 150,98 -4,904 193,248 3,3711 1 1 0 -1,9084 0,140428439561996 BBB+ HIA+ Caco2+
DB03370 mol2, pdbqt 249,22 -2,875 342,225 2,3782 5 2 0 1,5833 0,781948529049266 BBB- HIA+ Caco2-
DB03371 mol2, pdbqt 197,46 -0,515 297,234 -4,3954 9 5 0 -20,734 0,477135741271575 BBB+ HIA- Caco2-
DB03372 mol2, pdbqt 196,64 -3,237 260,36 1,9156 3 1 0 -2,2681 0,482544189971953 BBB+ HIA+ Caco2-
DB03373 mol2, pdbqt 351,61 -2,45 455,584 2,9544 7 3 0 4,5762 0,736827065821119 BBB+ HIA+ Caco2-
DB03374 mol2, pdbqt 191,05 -3,277 432,974 -1,0207 4 3 0 -10,404 0,390244487817823 BBB- HIA+ Caco2-
DB03376 mol2, pdbqt 276 -2,455 417,402 -2,8464 14 5 1 -7,4323 0,416766107631766 BBB+ HIA+ Caco2-
DB03379 mol2, pdbqt 101,59 0,426 154,058 -3,7003 5 3 0 -14,01 0,494997375526429 BBB+ HIA- Caco2-
DB03380 mol2, pdbqt 140,66 -1,321 180,206 -0,5659 4 3 0 -2,6691 0,519317715280857 BBB+ HIA+ Caco2-
DB03381 mol2, pdbqt 237,94 -4,472 240,429 6,1998 1 0 1 -22,307 5,30150918303906E-02 BBB+ HIA+ Caco2+
DB03382 mol2, pdbqt 78,67 -0,42 137,159 -3,8576 4 2 0 -6,7623 0,494841491367667 BBB+ HIA+ Caco2-
Page 
 of 344
Records 2961 to 2980 of 6870
These data are only available for scientific research purposes.