UCSF

ZINC14010073

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 No

Popular Name: ethyl 4-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate ethyl 4-{[2,5-dimethyl-1-(4-meth…

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Other Names:

MFCD03067997

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) 4.45 15.48 -13.16 0 5 0 53 420.553 7 ↓
Ref Reference (pH 7) 4.45 15.77 -11.27 0 5 0 53 420.553 7 ↓

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

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