UCSF

ZINC05164544

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 18 Yes

Popular Name: 2-azepan-1-ylcarbonylamino-4-methyl-pentanoic 2-azepan-1-ylcarbonylamino-4-met…

Find On: PubMed — Wikipedia — Google

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) 1.39 7.73 -57.87 1 5 -1 72 255.338 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999007689A1; WO1999055688A1; WO2000006559A1 IBM Patent Data

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