UCSF

ZINC20259963

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 10 Yes

Popular Name: 3,5-dimethylhexanoic acid 3,5-dimethylhexanoic acid

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CAS Number: 60308-87-4

Other Names:

MFCD02258569

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) 2.23 6.06 -43.35 0 2 -1 40 143.206 4 ↓
Lo Low (pH 4.5-6) 2.23 4.07 -4.62 1 2 0 37 144.214 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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