UCSF

ZINC12404833

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Substance Information

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

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

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CAS Numbers: 394223-02-0 , [394223-02-0]

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 4.3 -7.72 1 4 0 55 176.175 2 ↓
Lo Low (pH 4.5-6) 1.33 4.55 -36.38 2 4 1 56 177.183 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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