UCSF

ZINC00406113

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 Yes

Popular Name: 2-Amino-3-phenyl-butyric acid 2-Amino-3-phenyl-butyric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1132-26-9 , 2260-12-0 , 25488-25-9 , 80997-87-1

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) -0.43 3.52 -44.23 3 3 0 68 179.219 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 210 Acros Organics
Melting_Point 293-294? dec. Alfa-Aesar
Melting_Point 293-294° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0671172A1; US5679671 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO1999036431A1 IBM Patent Data

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