UCSF

ZINC00083742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 4-Ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylicacid ethyl ester 4-Ethyl-5-formyl-3-methyl-1H-pyr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4391-87-1 , [4391-87-1]

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) 2.55 1.97 -8.04 1 4 0 59 209.245 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point n.d. Squarix

Activity (Go SEA)

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