UCSF

ZINC22221749

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 Yes

Popular Name: 1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid 1-(2-methoxyethyl)-2,5-dimethyl-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 876294-73-4 , [876294-73-4]

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) 0.85 4.66 -57.5 0 4 -1 54 196.226 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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