UCSF

ZINC00394975

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 9 Yes

Popular Name: 4-Oxohexanoic acid 4-Oxohexanoic acid

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CAS Numbers: , 1117-74-4 , [1117-74-4]

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) 0.15 3.39 -46.34 0 3 -1 57 129.135 4 ↓

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