UCSF

ZINC52534197

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: 4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine 4-(4-methoxyphenyl)-4,5,6,7-tetr…

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CAS Numbers: , 4875-49-4 , 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) 1.84 5.15 -45.51 3 4 1 55 230.291 2 ↓
Hi High (pH 8-9.5) 1.84 4.09 -9.16 2 4 0 50 229.283 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 186 KeyOrganics
Purity 95+% Fluorochem
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.