UCSF

ZINC67966449

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: [4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3- [4-hydroxy-4-(5-methyl-2-pyridyl…

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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) 0.71 4.72 -44.97 3 7 1 87 356.45 2 ↓
Hi High (pH 8-9.5) 0.71 2.37 -11.74 2 7 0 85 355.442 2 ↓
Lo Low (pH 4.5-6) 0.71 5.21 -86.78 4 7 2 88 357.458 2 ↓

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

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