UCSF

ZINC66054464

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 13 Yes

Popular Name: Methyl 1H-pyrrolo[2,3-b]pyridine-6-carboxylate Methyl 1H-pyrrolo[2,3-b]pyridine…

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CAS Numbers: 1256825-86-1 , [1256825-86-1]

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) 1.16 4.4 -9.83 1 4 0 55 176.175 2 ↓
Ref Reference (pH 7) 0.87 4.19 -16 0 4 0 52 176.175 2 ↓
Lo Low (pH 4.5-6) 0.87 4.64 -48.93 1 4 1 53 177.183 2 ↓

Vendor Notes

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

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Rings

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