UCSF

ZINC33575401

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 31 No

Popular Name: (1R,3R,3aS,6aS)-5-tert-butyl-3-isobutyl-1-(4-methoxycarbonylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropy (1R,3R,3aS,6aS)-5-tert-butyl-3-i…

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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) 1.15 11.23 -41.05 2 8 0 120 430.501 7 ↓
Hi High (pH 8-9.5) 1.15 8.66 -45.51 1 8 -1 116 429.493 7 ↓

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