UCSF

ZINC34625656

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 Yes

Popular Name: 1-Benzylcyclobutanecarboxylic acid 1-Benzylcyclobutanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114672-02-5 , 114672-05-5 , 37828-19-6 , [114672-02-5]

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) 2.11 8.08 -45.83 0 2 -1 40 189.234 3 ↓
Hi High (pH 8-9.5) 1.38 8.01 -26.87 1 12 0 130 524.607 5 ↓
Lo Low (pH 4.5-6) 2.11 6.37 -6.01 1 2 0 37 190.242 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Melting_Point 100-102° 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% )