UCSF

ZINC26894810

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 14 Yes

Popular Name: 2-CARBOMETHOXY-3-TROPINONE 2-CARBOMETHOXY-3-TROPINONE

Find On: PubMed — Wikipedia — Google

CAS Number: 36127-17-0

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) 0.25 3.33 -7.6 0 4 0 47 197.234 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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