UCSF

ZINC17970095

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 33 Yes

Popular Name: (8aR,9S,9aR)-3,3,6,6-tetramethyl-9-(3-phenoxyphenyl)-2,4,7,8a,9,9a-hexahydroacridine-1,8-dione (8aR,9S,9aR)-3,3,6,6-tetramethyl…

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Vendors

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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) 6.47 13.44 -11.37 0 4 0 56 441.571 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0823426A1; US5969139; US6162918 IBM Patent Data

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Rings

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

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