UCSF

ZINC35269797

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 13 Yes

Popular Name: 5-Chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid 5-Chloro-1H-pyrrolo[2,3-b]pyridi…

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CAS Numbers: 800401-84-7 , [800401-84-7]

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) 1.90 4.74 -41.39 1 4 -1 69 195.585 1 ↓
Lo Low (pH 4.5-6) 1.11 5.01 -21.85 1 4 0 67 196.593 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 300+ KeyOrganics
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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