UCSF

ZINC39279501

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 8 Yes

Popular Name: 1-METHYLCYCLOBUTANECARBOXYLIC ACID 1-METHYLCYCLOBUTANECARBOXYLIC ACID

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CAS Numbers: 32936-76-8 , [32936-76-8]

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) 0.85 4.63 -45.72 0 2 -1 40 113.136 1 ↓
Lo Low (pH 4.5-6) 0.85 2.68 -5.13 1 2 0 37 114.144 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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