UCSF

ZINC34753126

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 16 Yes

Popular Name: 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide 2-amino-4-methyl-5-phenyl-1H-pyr…

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Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.96 1.59 -9.01 5 4 0 81 216.264 2 ↓
Hi High (pH 8-9.5) 0.83 0.68 -9.42 4 4 0 81 215.256 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0842923A1; US5998459 IBM Patent Data

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Rings

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

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