UCSF

ZINC33860916

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 38 No

Popular Name: (3aS,4S,6S,6aR)-2-tert-butyl-4-(2,4-dimethoxy-3-methyl-phenyl)-6-[(4-nitrophenyl)methyl]-1,3-dioxo-3 (3aS,4S,6S,6aR)-2-tert-butyl-4-(…

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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) 1.51 12.58 -50.53 1 11 -1 154 524.55 8 ↓
Lo Low (pH 4.5-6) 1.51 11.39 -44.98 2 11 0 158 525.558 8 ↓
Lo Low (pH 4.5-6) 1.51 13.02 -55.14 2 11 0 158 525.558 8 ↓

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