UCSF

ZINC00208759

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 5-benzyl-1,3,4-thiadiazol-2-amine 5-benzyl-1,3,4-thiadiazol-2-amine

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CAS Numbers: 16502-08-2 , 2002-03-1 , 3/1/2002 12:00:00 AM , [16502-08-2]

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) 1.83 4.48 -8.38 2 3 0 52 191.259 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 170 - 179 Enamine Building Blocks
MP 196 - 198 Enamine Building Blocks
MP 196...198 Enamine Building Blocks
MP 200-202° Matrix Scientific
Melting_Point 227-230? Alfa-Aesar
Melting_Point 227-230° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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