UCSF

ZINC35269793

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 15 Yes

Popular Name: Ethyl 5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate Ethyl 5-chloro-1H-pyrrolo[2,3-c]…

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CAS Numbers: 800401-67-6 , [800401-67-6]

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) 2.53 4.65 -6.55 1 4 0 55 224.647 3 ↓
Lo Low (pH 4.5-6) 2.53 5.08 -34.72 2 4 1 56 225.655 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% 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.