UCSF

ZINC67982646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 Yes

Popular Name: 2-[[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]methyl]-3,5-dimethyl-1H-pyridin-4-one 2-[[4-hydroxy-4-(5-methyl-2-pyri…

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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) 1.74 4.3 -20.62 2 5 0 69 327.428 3 ↓
Lo Low (pH 4.5-6) 1.74 6.59 -63.64 3 5 1 70 328.436 3 ↓

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

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