UCSF

ZINC02515951

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: Isoamyl isobutyrate Isoamyl isobutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/3/2050 12:00:00 AM , 2050-01-3 , [2050-01-3]

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) 2.95 3.03 -4.22 0 2 0 26 158.241 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 162? Alfa-Aesar
Boiling_Point 162° Alfa-Aesar
BP 169 TCI

Activity (Go SEA)

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

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