UCSF

ZINC01384355

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 20 No

Popular Name: 2-(methylsulfanyl)-5-{(Z)-[2-(1H-pyrazol-1-yl)phenyl]methylidene}-1,3-thiazol-4-one 2-(methylsulfanyl)-5-{(Z)-[2-(1H…

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CAS Number: 956792-01-1

Other Names:

MFCD03787544

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) 2.64 -0.59 -17.68 0 4 0 47 301.396 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 150 - 152 KeyOrganics

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Rings

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

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