UCSF

ZINC66054864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 19 Yes

Popular Name: 7-(TERT-BUTOXYCARBONYL)-7-AZASPIRO[3.5]NONANE-2-CARBOXYLIC ACID 7-(TERT-BUTOXYCARBONYL)-7-AZASPI…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 873924-12-0 , [873924-12-0]

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) 1.87 7.8 -47.52 0 5 -1 70 268.333 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 96% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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