UCSF

ZINC04502688

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 12 Yes

Popular Name: 3-Azepan-1-yl-propionic acid 3-Azepan-1-yl-propionic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136671-92-6 , 730996-05-1

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) 1.27 5.49 -46.55 1 3 0 45 171.24 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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