UCSF

ZINC06662115

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 13 Yes

Popular Name: 2-amino-2-phenylbutanoic acid 2-amino-2-phenylbutanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33875-38-6 , 5438--07-3 , 5438-07-3 , [5438-07-3]

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) 1.50 3.52 -41.02 3 3 0 68 179.219 3 ↓
Hi High (pH 8-9.5) 1.22 4.62 -97.7 7 9 2 126 489.624 6 ↓
Hi High (pH 8-9.5) 1.50 3.31 -45.07 2 3 -1 66 178.211 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 285 - 287 Enamine Building Blocks
MP 285...287 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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