UCSF

ZINC40448519

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 Yes

Popular Name: 5'-bromo-1',2'-dihydrospiro[cyclohexane-1,3'-indole]-2'-one 5'-bromo-1',2'-dihydrospiro[cycl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 304468-42-6 , [304468-42-6]

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) 3.67 6.42 -4.9 1 2 0 29 280.165 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 197 - 198 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
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.