UCSF

ZINC07468685

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 16 Yes

Popular Name: (3-Aminophenyl)(1-azepanyl)methanone (3-Aminophenyl)(1-azepanyl)metha…

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CAS Numbers: , 401646-91-1 , [401646-91-1]

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) 1.37 5.12 -9.48 2 3 0 46 218.3 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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