UCSF

ZINC56705843

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 16 No

Popular Name: (5Z)-5-[(Z)-3-(2-furyl)-2-methyl-prop-2-enylidene]-2-thioxo-thiazolidin-4-one (5Z)-5-[(Z)-3-(2-furyl)-2-methyl…

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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) 2.66 3.19 -52.25 0 3 -1 49 250.324 2 ↓
Lo Low (pH 4.5-6) 2.21 5.24 -11.56 1 3 0 46 251.332 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000018747A1 IBM Patent Data

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Rings

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

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