UCSF

ZINC69875304

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: [4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(3-propylisoxazolo[5,4-b]pyridin-5-yl)methanone [4-[(2S)-2-hydroxypropyl]piperaz…

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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) 0.70 0.68 -12.82 1 7 0 83 332.404 5 ↓
Lo Low (pH 4.5-6) 0.70 2.92 -54.45 2 7 1 84 333.412 5 ↓

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

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