UCSF

ZINC04582794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 8 No

Popular Name: Thiophene-2-carbaldehyde oxime Thiophene-2-carbaldehyde oxime

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 29683-84-9 , 38266-87-4 , [29683-84-9]

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) 2.25 1.39 -5.97 1 2 0 33 127.168 1 ↓
Ref Reference (pH 7) 1.44 1.67 -3.33 0 2 0 29 127.168 2 ↓
Ref Reference (pH 7) 2.25 1.34 -5.6 1 2 0 33 127.168 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 132 - 134 Enamine Building Blocks
Melting_Point 132-136? Alfa-Aesar
Melting_Point 132-136° Alfa-Aesar
MP 132...134 Enamine Building Blocks
melting_point 149 - 151 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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