UCSF

ZINC67955254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: 1-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)-4-(5-methyl-2-pyridyl)piperidin-4-ol 1-(3-methylisoxazolo[5,4-d]pyrim…

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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) 1.27 4.32 -12.87 1 7 0 88 325.372 2 ↓
Lo Low (pH 4.5-6) 1.27 4.8 -41.61 2 7 1 89 326.38 2 ↓

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

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