UCSF

ZINC01859646

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 19 No

Popular Name: (5E)-5-[4-(diethylamino)benzylidene]-2-mercapto-1,3-thiazol-4(5H)-one (5E)-5-[4-(diethylamino)benzylid…

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CAS Number: 35778-58-6

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) 3.14 6.09 -55.45 1 3 0 40 292.429 4 ↓
Mid Mid (pH 6-8) 3.14 5.95 -44.07 0 3 -1 39 291.421 4 ↓
Lo Low (pH 4.5-6) 2.68 7.88 -53.75 2 3 0 37 293.437 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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