UCSF

ZINC12402101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 33 No

Popular Name: 2-[4-[2-(benzylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[2-(benzylamino)-4,4-dimeth…

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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) 3.67 12.14 -22.72 0 6 0 86 444.531 7 ↓
Hi High (pH 8-9.5) 4.25 12.83 -58.68 0 6 -1 92 443.523 7 ↓
Mid Mid (pH 6-8) 3.67 1.06 -41.68 1 6 1 87 445.539 7 ↓
Mid Mid (pH 6-8) 4.26 5.38 -14.05 1 6 0 89 444.531 6 ↓

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Rings

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

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