UCSF

ZINC05331152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 10 Yes

Popular Name: 4-Methyl-1H-pyrrolo[2,3-b]pyridine 4-Methyl-1H-pyrrolo[2,3-b]pyridine

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CAS Numbers: 824-24-8 , [824-24-8]

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) 1.64 4.45 -7.29 1 2 0 29 132.166 0 ↓
Lo Low (pH 4.5-6) 1.64 4.7 -28.48 2 2 1 30 133.174 0 ↓

Vendor Notes

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

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

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