• Drug Bank
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Records 821 to 840 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
DB00973 mol2, pdbqt 60,77 -4,763 409,431 4,1644 4 2 0 0,9371 0,496797118622977 BBB+ HIA+ Caco2-
DB00974 mol2, pdbqt 155,68 1,67 292,243 -6,1434 10 4 0 -7,634 0,173101740554984 BBB- HIA- Caco2-
DB00975 mol2, pdbqt 145,44 -3,824 504,634 0,7916 12 4 2 0,43417 0,150554148781312 BBB- HIA+ Caco2-
DB00976 mol2, pdbqt 171,85 -4,499 812,014 3,2681 15 1 2 -6,4327 0,192232138014044 BBB- HIA+ Caco2-
DB00977 mol2, pdbqt 40,46 -4,453 296,409 3,7955 2 2 0 0,68189 0,577164048547482 BBB+ HIA+ Caco2+
DB00978 mol2, pdbqt 72,88 -3,548 351,352 -1,2243 6 2 0 4,6449 0,835230943135273 BBB- HIA+ Caco2-
DB00979 mol2, pdbqt 49,77 -2,119 291,39 1,8767 4 1 0 4,1325 0,909659342126052 BBB+ HIA+ Caco2+
DB00980 mol2, pdbqt 38,33 -3,48 259,348 3,3717 3 1 0 1,3226 0,727975361697303 BBB+ HIA+ Caco2+
DB00981 mol2, pdbqt 44,81 -2,697 275,351 1,6806 5 1 0 1,9297 0,850676004685416 BBB+ HIA+ Caco2+
DB00982 mol2, pdbqt 37,3 -3,478 300,44 5,8207 2 1 1 -4,6002 0,287578616851332 BBB+ HIA+ Caco2+
DB00983 mol2, pdbqt 90,82 -3,102 344,41 1,5007 6 4 0 6,9187 0,859037641177101 BBB- HIA+ Caco2-
DB00984 mol2, pdbqt 43,37 -5,699 406,564 5,5456 3 0 1 -1,8419 0,136162171637222 BBB+ HIA+ Caco2+
DB00985 mol2, pdbqt 21,26 -2,311 256,368 2,9058 2 1 0 4,6945 0,88772472737049 BBB+ HIA+ Caco2+
DB00986 mol2, pdbqt 49,77 -2,296 318,435 1,1725 4 1 0 4,3668 0,903898108120714 BBB+ HIA+ Caco2+
DB00987 mol2, pdbqt 128,61 -0,731 243,218 -3,0346 8 4 0 -4,6735 0,490069054645766 BBB+ HIA+ Caco2-
DB00988 mol2, pdbqt 66,48 -1,096 153,18 0,4032 3 3 0 -2,1675 0,194045160896696 BBB- HIA+ Caco2-
DB00989 mol2, pdbqt 32,78 -1,618 250,341 1,9577 4 0 0 1,9626 0,88049436921203 BBB+ HIA+ Caco2+
DB00990 mol2, pdbqt 34,14 -3,947 296,409 3,6076 2 0 0 -0,8784 0,486807399110227 BBB+ HIA+ Caco2+
DB00991 mol2, pdbqt 63,33 -4,153 293,321 3,5595 4 1 0 -1,8528 0,419530475791705 BBB+ HIA+ Caco2-
DB00992 mol2, pdbqt 69,39 -0,618 145,157 -0,8855 4 1 0 -9,0394 0,492821745196231 BBB+ HIA+ Caco2-
Page 
 of 344
Records 821 to 840 of 6870
These data are only available for scientific research purposes.