UCSF

ZINC16577875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 20 Yes

Popular Name: [3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid [3-Acetyl-5-(4-fluorophenyl)-2-m…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 913837-59-9

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) 2.05 8.41 -49.98 0 4 -1 62 274.271 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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