UCSF

ZINC01382428

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 No

Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-3-methoxybenzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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CAS Number: 477885-73-7

Other Names:

MFCD00794302

Download: MOL2 SDF SMILES Flexibase

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) 1.66 1.67 -11.07 1 7 0 90 305.286 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 158 - 159 KeyOrganics

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Rings

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

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