UCSF

ZINC02518298

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 3-methyl-3-(4-methylphenyl)butanoic acid 3-methyl-3-(4-methylphenyl)butan…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42288-08-4 , [42288-08-4]

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) 3.05 2.13 -45.36 0 2 -1 40 191.25 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 50 - 57 Enamine Building Blocks
MP 73 - 75 Enamine Building Blocks
MP 73...75 Enamine Building Blocks
MP 76 - 78 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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