UCSF

ZINC11822408

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Substance Information

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

Popular Name: 3-Azepan-1-yl-2-methyl-propylamine 3-Azepan-1-yl-2-methyl-propylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 893644-62-7 , [893644-62-7]

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) 1.31 4.83 -100.96 4 2 2 32 172.316 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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