UCSF

ZINC00391144

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: Methyl isovalerate Methyl isovalerate

Find On: PubMed — Wikipedia — Google

CAS Number: 556-24-1

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) 1.52 4.23 -4.49 0 2 0 26 116.16 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 115-117? Alfa-Aesar
Boiling_Point 115-117° Alfa-Aesar
BP 118 TCI
PUBCHEM_PATENT_ID WO1999003843A1 IBM Patent Data

Activity (Go SEA)

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