UCSF

ZINC66054943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 No

Popular Name: 1-Oxa-2-azaspiro[4,5]dec-2-ene-3-carboxylic acid 1-Oxa-2-azaspiro[4,5]dec-2-ene-3…

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CAS Number: 1015770-72-5

Other Names:

MFCD19382371

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) 1.56 4.95 -43.84 0 4 -1 62 182.199 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

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Rings

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

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