UCSF

ZINC67434131

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 3-(3-hydroxyisoxazol-5-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridyl)-1-piperidyl]propan-1-one 3-(3-hydroxyisoxazol-5-yl)-1-[4-…

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Download: MOL2 SDF SMILES Flexibase

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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) 0.62 2.79 -14.98 2 7 0 99 331.372 4 ↓
Mid Mid (pH 6-8) 1.07 1.15 -53.53 1 7 -1 103 330.364 4 ↓
Lo Low (pH 4.5-6) 1.07 0.9 -44.19 3 7 1 101 332.38 4 ↓

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

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