UCSF

ZINC34560517

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 Yes

Popular Name: N-[2-(o-tolyl)imidazo[2,1-a]isoquinolin-3-yl]-N-propyl-acetamide N-[2-(o-tolyl)imidazo[2,1-a]isoq…

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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) 4.97 14.43 -17.16 0 4 0 38 357.457 4 ↓
Mid Mid (pH 6-8) 4.97 14.26 -24.01 1 4 1 39 358.465 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6020342; US6103736 IBM Patent Data

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Rings

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

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