UCSF

ZINC40448717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 No

Popular Name: 1H-Pyrrolo[3,2-b]pyridine-2-carbaldehyde 1H-Pyrrolo[3,2-b]pyridine-2-carb…

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CAS Numbers: 17288-52-7 , [17288-52-7]

Other Names:

MFCD08437635

N/A

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) 1.29 2.22 -12.44 1 3 0 46 146.149 1 ↓
Lo Low (pH 4.5-6) 1.29 2.67 -35.93 2 3 1 47 147.157 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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