UCSF

ZINC53354495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 25 Yes

Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[4-[(3…

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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) 1.73 5.79 -22.48 0 7 0 76 340.383 4 ↓
Mid Mid (pH 6-8) 1.73 8 -67.81 1 7 1 77 341.391 4 ↓

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

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