UCSF

ZINC36117629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 No

Popular Name: 2-[4-[(1R,2E)-2-allylimino-4,4-dimethyl-6-oxo-cyclohexyl]-4-oxo-butyl]isoindoline-1,3-dione 2-[4-[(1R,2E)-2-allylimino-4,4-d…

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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) 2.92 9.68 -21.41 0 6 0 86 394.471 7 ↓
Hi High (pH 8-9.5) 3.50 7.58 -51.9 0 6 -1 92 393.463 7 ↓
Mid Mid (pH 6-8) 2.92 8.86 -13.11 0 6 0 86 394.471 7 ↓

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

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