UCSF

ZINC00334363

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 13 Yes

Popular Name: 3-phenylpentanoic acid 3-phenylpentanoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 5669-17-0

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) 0.98 6.73 -46.27 0 2 -1 40 177.223 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 59 - 61 Enamine Building Blocks
MP 59...61 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0835248A1 IBM Patent Data

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