UCSF

ZINC38600121

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 11 No

Popular Name: 8-Azaxanthin 8-Azaxanthin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1468-26-4 , 19344-24-2

Download: MOL2 SDF SMILES Flexibase

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) -1.26 -3.8 -4.06 1 7 0 102 151.085 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5811096 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.