UCSF

ZINC04992760

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 16 Yes

Popular Name: 5-(azepan-1-ylmethyl)-2-furoic acid 5-(azepan-1-ylmethyl)-2-furoic acid

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CAS Numbers: 878680-54-7 , [878680-54-7]

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) 2.22 1.37 -66.47 1 4 0 58 223.272 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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