UCSF

ZINC19088270

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 13 Yes

Popular Name: 3-(3,5-dimethylphenyl)propanoic acid 3-(3,5-dimethylphenyl)propanoic …

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CAS Numbers: 42287-87-6 , [42287-87-6]

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) 2.71 7.05 -46.69 0 2 -1 40 177.223 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
Melting_Point 53-56? Alfa-Aesar
Melting_Point 53-56° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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