UCSF

ZINC14234576

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 28 No

Popular Name: 3-[(1S,2S)-1-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)tetralin-2-yl]propanoic 3-[(1S,2S)-1-(4,5-dimethoxy-2-me…

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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) 3.06 11.33 -48.3 0 6 -1 93 383.42 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0322248A2; EP0322248B1; US5057514; US5179092; US5288752 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.