UCSF

ZINC12403769

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 12 Yes

Popular Name: 4-(1-Azepanyl)-1-butanol 4-(1-Azepanyl)-1-butanol

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CAS Numbers: 114960-98-4 , [114960-98-4]

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) 1.67 3.92 -34.6 2 2 1 25 172.292 4 ↓

Vendor Notes

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

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