UCSF

ZINC00157006

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 No

Popular Name: Thiophene-3-carbaldehyde oxime Thiophene-3-carbaldehyde oxime

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CAS Numbers: 148134-23-0 , 42466-50-2 , [42466-50-2]

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) 1.12 1.47 -3.25 0 2 0 29 127.168 2 ↓
Ref Reference (pH 7) 1.94 1.21 -5.04 1 2 0 33 127.168 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 121-122? Alfa-Aesar
Melting_Point 121-122° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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