UCSF

ZINC22670433

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyr 5-[(3,5-dimethylphenyl)methoxy]-…

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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) 3.26 11.97 -25.51 0 7 0 76 507.656 9 ↓
Mid Mid (pH 6-8) 3.26 14.29 -73.14 1 7 1 77 508.664 9 ↓

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

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