UCSF

ZINC00129029

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Ethyl 5-methylindole-2-carboxylate Ethyl 5-methylindole-2-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16328-15-3 , 16382-15-3 , [16382-15-3]

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) 3.03 6.64 -5.82 1 3 0 42 203.241 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 161-165? Alfa-Aesar
Melting_Point 161-165° Alfa-Aesar
Boiling_Point 236?/4mm Alfa-Aesar
Boiling_Point 236°/4mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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