UCSF

ZINC00153666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: methyl thiophene-2-carboxylate methyl thiophene-2-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20699-86-9 , 5380-42-7 , 90179-20-7 , [5380-42-7]

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) 1.67 4.22 -6.18 0 2 0 26 142.179 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 94-96°/14mm Oakwood Chemical
Boiling_Point 95-97?/15mm Alfa-Aesar
Boiling_Point 95-97°/15mm Alfa-Aesar
Purity 97% Fluorochem
BP 98 / 24 TCI

Activity (Go SEA)

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

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