UCSF

ZINC68949423

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 12 Yes

Popular Name: 2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid hydrochloride 2-oxa-7-azaspiro[4.4]nonane-9-ca…

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CAS Number: 1803582-49-1

Other Names:

MFCD28064012

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) -0.24 1.77 -59.65 2 4 0 66 171.196 1 ↓
Hi High (pH 8-9.5) -0.24 0.33 -46.74 1 4 -1 61 170.188 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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