UCSF

ZINC06677786

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Substance Information

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

Popular Name: 3-Azepan-1-ylmethyl-benzylamine 3-Azepan-1-ylmethyl-benzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 876716-70-0 , [876716-70-0]

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) 2.31 -1.88 -98.66 4 2 2 32 220.36 3 ↓

Vendor Notes

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

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