UCSF

ZINC19015194

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 13 Yes

Popular Name: 1-(Pyridin-2-yl)-1,4-diazepane 1-(Pyridin-2-yl)-1,4-diazepane

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CAS Numbers: 1177314-80-5 , 287114-32-3

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) 0.71 3.47 -42.66 2 3 1 33 178.259 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104?/0.4mm Alfa-Aesar
Boiling_Point 104°/0.4mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000064885A1 IBM Patent Data

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