UCSF

ZINC40448835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 Yes

Popular Name: 7-Bromo-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one 7-Bromo-1,5-dihydro-4H-pyrrolo[3…

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CAS Numbers: 93587-23-6 , [93587-23-6]

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) 1.19 -0.2 -43.44 1 4 -1 65 213.014 0 ↓
Ref Reference (pH 7) 0.74 1.83 -12.45 2 4 0 62 214.022 0 ↓
Mid Mid (pH 6-8) 0.74 1.16 -17.3 2 4 0 62 214.022 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
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.