UCSF

ZINC04198795

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 10 No

Popular Name: 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine 2-Chloro-7H-pyrrolo[2,3-d]pyrimi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 335654-06-3 , [335654-06-3]

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) 1.55 -1.39 -8.88 1 3 0 41 153.572 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999065908A1 IBM Patent Data

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

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