UCSF

ZINC15446286

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 13 Yes

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

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CAS Number: 394223-19-9

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) 1.33 3.17 -9.37 1 4 0 55 176.175 2 ↓
Lo Low (pH 4.5-6) 1.33 3.45 -35.41 2 4 1 56 177.183 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 141-143? Alfa-Aesar
Melting_Point 141-143° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

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