UCSF

ZINC19255313

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 9 Yes

Popular Name: 1-ethyl-1,4-diazepane 1-ethyl-1,4-diazepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1219843-83-0 , 3619-73-6 , [3619-73-6]

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) 0.28 1.71 -35.21 2 2 1 20 129.227 1 ↓
Hi High (pH 8-9.5) 0.28 2.45 -30.9 2 2 1 16 129.227 1 ↓
Hi High (pH 8-9.5) 0.28 0.49 -0.86 1 2 0 15 128.219 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5681841; US5880284 IBM Patent Data

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