UCSF

ZINC22652031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 33 Yes

Popular Name: 5-[(4-fluorophenyl)methoxy]-2-[[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4 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) 1.72 9.22 -23.28 0 7 0 76 469.538 7 ↓
Mid Mid (pH 6-8) 1.72 11.48 -71.34 1 7 1 77 470.546 7 ↓

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

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