UCSF

ZINC00077600

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 15 Yes

Popular Name: 1-Benzyl-1,4-diazepan-5-one 1-Benzyl-1,4-diazepan-5-one

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CAS Numbers: 55186-89-5 , [55186-89-5]

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) 0.98 4.85 -46.32 2 3 1 34 205.281 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 115 - 117° Fluorochem
MP 115-117° Matrix Scientific
Purity 95% Fluorochem
MP 97-98° Oakwood Chemical
Warnings Irritant Matrix Scientific

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