UCSF

ZINC40448747

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 10 No

Popular Name: 2-Chloro-5H-pyrrolo[3,2-d]pyrimidine 2-Chloro-5H-pyrrolo[3,2-d]pyrimi…

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CAS Numbers: 1119280-66-8 , [111928-06-4] , [1119280-66-8]

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) 1.55 2.33 -11.3 1 3 0 42 153.572 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP >230° Oakwood Chemical
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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