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Records 5681 to 5700 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
DB08045 mol2, pdbqt 269,03 -4,354 359,812 2,3434 6 4 0 1,977 0,415931964466956 BBB+ HIA+ Caco2-
DB08046 mol2, pdbqt 218,01 -3,465 338,77 1,951 6 3 0 2,4038 0,479965603171568 BBB+ HIA+ Caco2-
DB08047 mol2, pdbqt 236,04 -4,062 334,296 3,4708 4 2 0 -6,8597 0,368227693008031 BBB+ HIA+ Caco2-
DB08048 mol2, pdbqt 175 -2,58 242,233 1,5832 5 4 0 1,1281 0,810555751860467 BBB+ HIA+ Caco2-
DB08049 mol2, pdbqt 184,68 -2,983 254,24 2,3041 4 2 0 -2,6733 0,28387093399671 BBB- HIA+ Caco2-
DB08050 mol2, pdbqt 156,39 -2,056 192,213 1,453 3 1 0 -14,294 0,474833382215773 BBB+ HIA+ Caco2+
DB08051 mol2, pdbqt 312,01 -4,38 419,446 2,2709 5 1 0 -1,0505 0,434168296797462 BBB+ HIA+ Caco2-
DB08052 mol2, pdbqt 238,59 -5,225 319,371 2,006 7 2 0 0,22504 0,520165696615609 BBB+ HIA+ Caco2+
DB08053 mol2, pdbqt 246,42 -4,416 325,371 2,2026 7 1 0 1,566 0,688616642372647 BBB+ HIA+ Caco2+
DB08054 mol2, pdbqt 232 -4,73 304,356 2,2422 6 1 0 2,4132 0,418287943441481 BBB+ HIA+ Caco2+
DB08055 mol2, pdbqt 242,43 -6,46 320,782 3,9949 4 1 0 1,9 0,456060305735487 BBB+ HIA+ Caco2+
DB08056 mol2, pdbqt 251,53 -6,412 314,391 4,0767 4 1 0 1,7675 0,271447924968862 BBB+ HIA+ Caco2+
DB08057 mol2, pdbqt 303,83 -6,767 406,92 3,8782 6 2 0 6,2958 0,264125628611478 BBB+ HIA+ Caco2-
DB08058 mol2, pdbqt 286,62 -4,288 380,422 2,8812 6 2 0 5,3389 0,712871874132298 BBB+ HIA+ Caco2-
DB08059 mol2, pdbqt 295,27 -4,376 428,436 1,6247 8 0 0 0,96941 0,596074009249205 BBB+ HIA+ Caco2+
DB08060 mol2, pdbqt 151,15 -2,391 193,201 0,486 4 2 0 -1,5787 0,555448481596838 BBB+ HIA+ Caco2-
DB08061 mol2, pdbqt 202,27 -3,469 261,755 2,7927 3 2 0 2,6727 0,815245047778227 BBB+ HIA+ Caco2-
DB08062 mol2, pdbqt 165,28 -4,064 225,703 2,3978 3 1 0 1,3138 0,728341866240558 BBB+ HIA+ Caco2+
DB08063 mol2, pdbqt 295,48 -3,957 384,434 3,0135 5 1 0 4,7772 0,732494424486165 BBB+ HIA+ Caco2+
DB08064 mol2, pdbqt 306,91 -5,208 399,881 3,6351 7 3 0 -0,84502 0,374043188313769 BBB+ HIA+ Caco2-
These data are only available for scientific research purposes.