UCSF

ZINC02381415

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 12 No

Popular Name: 4-oxo-4-(pyridin-3-yl)butanal 4-oxo-4-(pyridin-3-yl)butanal

Find On: PubMed — Wikipedia — Google

CAS Number: 76014-80-7

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) 0.58 1.13 -12.09 0 3 0 47 163.176 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links PNAO_PSESP; SAPD_PSESP ChEBI

Activity (Go SEA)

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