UCSF

ZINC01382585

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: ethyl 5-{[5-cyano-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]methyl}-4,5-dihydro-3-isoxazolecarboxylate ethyl 5-{[5-cyano-3-methyl-2,4-d…

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CAS Number: 338399-97-6

Other Names:

MFCD01315184

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) -0.61 5.34 -18.51 0 9 0 116 306.278 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 167 KeyOrganics

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Rings

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

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