UCSF

ZINC34977167

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 Yes

Popular Name: 1-((6-Chloropyridin-3-yl)methyl)piperazine dihydrochloride 1-((6-Chloropyridin-3-yl)methyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1135439-04-1 , 1185312-79-1 , [1185312-79-1]

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) 0.82 2.18 -42.56 2 3 1 33 212.704 2 ↓
Hi High (pH 8-9.5) 0.82 0.83 -4.59 1 3 0 28 211.696 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 89 - 91 Enamine Building Blocks
MP 89...91 Enamine Building Blocks
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% )