UCSF

ZINC17005272

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 No

Popular Name: 5-Ethyl-4-phenyl-1,3-thiazol-2-amine 5-Ethyl-4-phenyl-1,3-thiazol-2-a…

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CAS Numbers: 34176-47-1 , [34176-47-1]

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) 2.94 5.85 -6.75 2 2 0 39 204.298 2 ↓
Hi High (pH 8-9.5) 2.94 5.91 -38.91 1 2 -1 36 203.29 2 ↓
Lo Low (pH 4.5-6) 2.94 6.27 -26.23 3 2 1 40 205.306 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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