UCSF

ZINC20365712

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 No

Popular Name: 3-{4-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}-1,3-thiazolane-4-carboxylic acid 3-{4-[(E)-1,3-benzodioxol-5-ylme…

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CAS Number: 1008867-63-7

Other Names:

MFCD04124739

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.44 5.77 -50.89 1 8 -1 108 346.344 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 253 - 254 KeyOrganics

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

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