UCSF

ZINC01384331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Popular Name: (4-iodophenyl)(1-oxa-4-azaspiro[4.5]dec-4-yl)methanone (4-iodophenyl)(1-oxa-4-azaspiro[…

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CAS Number: 861209-88-3

Other Names:

MFCD03618015

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) 3.80 -1.94 -5.33 0 3 0 29 371.218 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 146 - 147 KeyOrganics

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Rings

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

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