UCSF

ZINC01995225

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 12 Yes

Popular Name: 1-(Pyridin-4-yl)pentan-1-one 1-(Pyridin-4-yl)pentan-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1701-73-1 , [1701-73-1]

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) 2.11 1.23 -7.04 0 2 0 29 163.22 4 ↓

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