UCSF

ZINC54965114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: H-Asp-OtBu H-Asp-OtBu

Find On: PubMed — Wikipedia — Google

CAS Numbers: 148823-36-3 , 4125-93-3 , [4125-93-3]

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) -0.26 2.81 -42.98 2 5 -1 92 188.203 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 99% min APIChem
PUBCHEM_PATENT_ID EP0301751A1; EP0301751B1; US5502035; US5614531; WO1995004541A1 IBM Patent Data

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

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