UCSF

ZINC12360601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: 4-(Pyridin-2-yl)butanoic acid 4-(Pyridin-2-yl)butanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102879-51-6 , 638167-97-2 , [102879-51-6]

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) 0.73 4.73 -51.24 0 3 -1 53 164.184 4 ↓
Lo Low (pH 4.5-6) 0.73 5 -55.11 1 3 0 54 165.192 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP1031563A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.