UCSF

ZINC02039651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 13 Yes

Popular Name: 5-Methyl-2-pentylphenol 5-Methyl-2-pentylphenol

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CAS Numbers: 1300-94-3 , [1300-94-3]

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) 4.67 6.15 -3.42 1 1 0 20 178.275 4 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links US2007202177; US2007231295; WO2007100776; WO2007110871 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.