UCSF

ZINC02271836

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 12 No

Popular Name: 4-(prop-2-yn-1-yloxy)benzaldehyde 4-(prop-2-yn-1-yloxy)benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5651-86-5 , [5651-86-5]

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) 1.94 5 -8.58 0 2 0 26 160.172 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 75 - 77 Enamine Building Blocks
MP 75...77 Enamine Building Blocks
melting_point 85 - 86 KeyOrganics
MP 85° Matrix Scientific
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% )

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