UCSF

ZINC20270214

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 Yes

Popular Name: 1-(piperidin-3-ylmethyl)azepane 1-(piperidin-3-ylmethyl)azepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1211495-72-5 , 896053-57-9

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) 1.96 6.75 -106.8 3 2 2 21 198.354 2 ↓
Hi High (pH 8-9.5) 1.96 5.35 -32.82 2 2 1 16 197.346 2 ↓

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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