UCSF

ZINC66054944

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1,8-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID 1,8-DIOXA-2-AZASPIRO[4.5]DEC-2-E…

Find On: PubMed — Wikipedia — Google

CAS Number: 1015770-89-4

Other Names:

MFCD19382372

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) 0.03 2.56 -42.35 0 5 -1 71 184.171 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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