UCSF

ZINC22667862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 Yes

Popular Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl]methyl]pyran-4-one 5-[(4-fluorophenyl)methoxy]-2-[[…

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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) 3.54 9.91 -22.89 0 7 0 72 506.452 8 ↓
Mid Mid (pH 6-8) 3.54 12.19 -71.06 1 7 1 73 507.46 8 ↓

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

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