UCSF

ZINC12861293

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 23 No

Popular Name: 4-{5-[(dimethylamino)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione 4-{5-[(dimethylamino)methylene]-…

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CAS Number: 477766-81-7

Other Names:

MFCD01935845

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) 0.82 7.31 -26.53 0 6 0 63 349.437 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 244 - 245 KeyOrganics

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