UCSF

ZINC02583840

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 14 No

Popular Name: 3-Pyridin-4-yl-benzaldehyde 3-Pyridin-4-yl-benzaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 208190-04-9 , [208190-04-9]

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) 2.21 1.36 -8.96 0 2 0 30 183.21 2 ↓
Lo Low (pH 4.5-6) 2.21 1.47 -42 1 2 1 31 184.218 2 ↓

Vendor Notes

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