UCSF

ZINC12402125

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 38 No

Popular Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)butyl]isoindoline 2-[4-[2-(3,4-dimethoxyphenyl)eth…

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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) 4.31 11.49 -55.51 0 8 -1 110 517.602 10 ↓
Mid Mid (pH 6-8) 3.72 0.5 -45.22 1 8 1 106 519.618 10 ↓
Lo Low (pH 4.5-6) 4.31 10.92 -23.13 1 8 0 107 518.61 10 ↓

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

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