UCSF

ZINC16578311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 19 Yes

Popular Name: (3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)acetic acid (3-acetyl-2-methyl-5-phenyl-1H-p…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 396123-23-2 , [396123-23-2]

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) 1.89 8.38 -52.38 0 4 -1 62 256.281 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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Rings

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

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