UCSF

ZINC34621671

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 Yes

Popular Name: 6-hydroxy-2,2-dimethyl-hexan-3-one 6-hydroxy-2,2-dimethyl-hexan-3-one

Find On: PubMed — Wikipedia — Google

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) 1.09 2.1 -8.48 1 2 0 37 144.214 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337637A1; EP0363223A2; EP0597821A1 IBM Patent Data

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