UCSF

ZINC33872517

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 37 No

Popular Name: (3aS,4R,6R,6aR)-2-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-nitrophenyl)methyl]-1,3-dioxo-3a, (3aS,4R,6R,6aR)-2-butyl-4-(2,3-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.85 10.42 -45.28 1 11 -1 154 508.507 8 ↓
Lo Low (pH 4.5-6) 0.85 11.21 -41.41 2 11 0 158 509.515 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )