UCSF

ZINC00085313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 3-acetyl-2-methyl-5-phenylthiophene 3-acetyl-2-methyl-5-phenylthiophene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 40932-63-6 , [4093-28-1] , [40932-63-6]

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) 3.56 1.32 -5.92 0 1 0 17 216.305 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 67-69? Alfa-Aesar
Melting_Point 67-69° Alfa-Aesar

Activity (Go SEA)

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

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