UCSF

ZINC04168921

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 22 No

Popular Name: 1,3-cyclohexanedione, 5,5-dimethyl-2-[(2-naphthalenylamino)methylene]- 1,3-cyclohexanedione, 5,5-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) 3.91 9.72 -44.56 0 3 -1 52 292.358 2 ↓
Mid Mid (pH 6-8) 2.99 8.73 -44.39 2 3 1 49 294.374 2 ↓
Lo Low (pH 4.5-6) 3.91 8.17 -16.92 1 3 0 50 293.366 2 ↓

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

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