UCSF

ZINC00210121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: ethyl 5-methoxy-1H-indole-2-carboxylate ethyl 5-methoxy-1H-indole-2-carb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4792-58-9 , [4792-58-9]

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) 2.64 5.25 -7.26 1 4 0 51 219.24 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 152 - 155 Acros Organics
Melting_Point 154-157? Alfa-Aesar
Melting_Point 154-157° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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