UCSF

ZINC04578881

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 13 Yes

Popular Name: 3-Methyl-2-phenylbutyric acid 3-Methyl-2-phenylbutyric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13490-69-2 , 13491-13-9 , 3508-94-9

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) 2.75 6.61 -48.55 0 2 -1 40 177.223 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 57-62? Alfa-Aesar
Melting_Point 57-62° Alfa-Aesar
MP 60 - 64 Enamine Building Blocks
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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