UCSF

ZINC14007977

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 16 Yes

Popular Name: 2-Benzyloctahydrocyclopenta[c]pyrrol-4-amine 2-Benzyloctahydrocyclopenta[c]py…

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CAS Numbers: 186201-60-5 , [186201-60-5]

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) 1.61 6.65 -112.2 4 2 2 32 218.344 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0871628A1; US5580872; WO1995010519A1; WO1996039407A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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Rings

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

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