UCSF

ZINC36533642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 15 No

Popular Name: tert-butyl 2,4-dioxopiperidine-1-carboxylate tert-butyl 2,4-dioxopiperidine-1…

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CAS Numbers: 845267-78-9 , [845267-78-9]

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) 0.28 3.76 -41.24 0 5 -1 70 212.225 2 ↓
Mid Mid (pH 6-8) 1.02 3.65 -41.19 0 5 -1 70 212.225 2 ↓
Mid Mid (pH 6-8) 0.27 4.83 -10.32 0 5 0 64 213.233 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 111-112° Oakwood Chemical
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

No pre-computed analogs available. Try a structural similarity search.