• Drug Bank
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Records 1721 to 1740 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
DB02026 mol2, pdbqt 325,62 -5,096 442,431 -0,2685 12 5 1 -7,1275 0,184120147425377 BBB- HIA+ Caco2-
DB02027 mol2, pdbqt 203,96 -0,844 247,302 -7,7886 9 6 1 -3,5753 0,298764548160618 BBB+ HIA+ Caco2-
DB02028 mol2, pdbqt 288,73 4,714 492,155 -12,471 17 9 2 -30,492 0,38086789666291 BBB+ HIA- Caco2-
DB02029 mol2, pdbqt 208,01 -4,727 344,191 3,0851 3 2 0 -2,4506 0,369466632959772 BBB+ HIA+ Caco2-
DB02030 mol2, pdbqt 239,77 -0,991 358,286 -2,8598 9 4 0 -20,641 0,457201086801184 BBB+ HIA- Caco2-
DB02031 mol2, pdbqt 322,1 -3,091 445,435 -3,5741 13 9 2 -7,5128 0,387940708063071 BBB- HIA- Caco2-
DB02032 mol2, pdbqt 160,31 -1,715 217,288 0,366 4 1 0 -0,95684 0,614059227606439 BBB+ HIA+ Caco2+
DB02033 mol2, pdbqt 347,58 -6,192 479,595 5,0644 6 2 1 -9,3167 0,178497361523586 BBB+ HIA+ Caco2-
DB02034 mol2, pdbqt 120,89 -0,33 173,211 -1,0292 4 3 0 3,5259 0,970434633798796 BBB+ HIA+ Caco2-
DB02035 mol2, pdbqt 267,09 -3,797 308,5 7,3455 2 0 1 -27,339 0,13769321831009 BBB+ HIA+ Caco2-
DB02036 mol2, pdbqt 168,28 -2,8 238,266 -0,5206 5 3 0 4,3154 0,922454353518162 BBB+ HIA+ Caco2-
DB02037 mol2, pdbqt 100,52 -1,493 142,118 -0,8773 6 4 0 -1,8789 0,553485200423895 BBB+ HIA+ Caco2-
DB02038 mol2, pdbqt 228,05 0,649 333,236 -6,4947 10 5 0 -15,916 0,469402640057878 BBB- HIA- Caco2-
DB02039 mol2, pdbqt 119,88 -0,163 163,196 -3,4686 4 2 0 -6,5492 0,494387342280514 BBB+ HIA+ Caco2-
DB02041 mol2, pdbqt 126,7 -2,3 177,163 -1,2363 5 3 0 1,6934 0,318002643190659 BBB+ HIA+ Caco2+
DB02042 mol2, pdbqt 219,71 0,218 252,306 -0,8183 6 1 0 -20,349 0,23317998911765 BBB+ HIA+ Caco2+
DB02043 mol2, pdbqt 621,66 -6,86 722,978 9,3569 10 3 2 -56,836 7,64429225560453E-02 BBB+ HIA- Caco2-
DB02044 mol2, pdbqt 153,33 -0,914 177,25 -0,3214 3 3 0 2,0332 0,922568059882238 BBB+ HIA+ Caco2-
DB02045 mol2, pdbqt 89,32 -1,363 87,1652 1,0159 1 1 0 -7,8924 0,487546228865665 BBB+ HIA+ Caco2+
DB02046 mol2, pdbqt 331,31 -3,091 447,426 -1,045 9 5 0 -5,2821 0,387998808358735 BBB+ HIA- Caco2-
Page 
 of 344
Records 1721 to 1740 of 6870
These data are only available for scientific research purposes.