UCSF

ZINC02163727

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 Yes

Popular Name: 3-[3-(2-carboxyethyl)phenyl]propanoic acid 3-[3-(2-carboxyethyl)phenyl]prop…

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CAS Number: 6082-86-6

Other Names:

MFCD00020519

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) 1.80 6.96 -100.52 0 4 -2 80 220.224 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0759917A1; EP0759917B1; EP0807118A2; EP0821690A1; EP0976734A3; US5591851; US5656745; US5659023; US5693771; US5750729; US5756486; US5763483; US5767100; US5798340; US5866601; US5952375; US5958973; US5977061; US5994377; WO1996023801A2; WO1996026933A1; WO19 IBM Patent Data

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