UCSF

ZINC01383790

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 24 No

Popular Name: N'-{(E)-[4-(tert-butyl)phenyl]methylidene}-2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetohydrazide N'-{(E)-[4-(tert-butyl)phenyl]me…

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CAS Number: 477889-98-8

Other Names:

MFCD02186099

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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) 2.38 5.6 -61.75 2 6 1 80 352.48 5 ↓
Mid Mid (pH 6-8) 2.38 3.54 -20.62 1 6 0 79 351.472 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 227 - 228 KeyOrganics

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Rings

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

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