UCSF

ZINC35269939

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 14 Yes

Popular Name: METHYL 5-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE METHYL 5-CHLORO-1H-PYRROLO[2,3-B…

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CAS Numbers: 952182-19-3 , [952182-19-3]

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) 2.16 4.8 -5.52 1 4 0 55 210.62 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% 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.