UCSF

ZINC59416578

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 29 No

Popular Name: 2-[4-(4-heptylcyclohexyl)phenyl]thieno[3,2-b]thiophene-5-carbonitrile 2-[4-(4-heptylcyclohexyl)phenyl]…

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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) 9.09 17.99 -3.72 0 1 0 24 421.675 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0144013A2; US4639328 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.