UCSF

ZINC52583406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 27 Yes

Popular Name: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]methylBLAHone [4-[(5-methylisoxazol-3-yl)methy…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.07 6.94 -14.3 0 6 0 55 362.433 4 ↓
Mid Mid (pH 6-8) 3.07 9.23 -42.03 1 6 1 56 363.441 4 ↓

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

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