UCSF

ZINC66887850

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 No

Popular Name: (4E)-4-[[2-(3-methoxypropoxy)anilino]methylene]isoquinoline-1,3-dione (4E)-4-[[2-(3-methoxypropoxy)ani…

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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) 2.83 6.06 -12.45 2 6 0 80 352.39 7 ↓
Mid Mid (pH 6-8) 2.83 6 -17.12 2 6 0 80 352.39 7 ↓

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

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