UCSF

ZINC22664967

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 35 Yes

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

Find On: PubMed — Wikipedia — Google

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) 2.57 10.72 -26.52 0 7 0 76 497.592 9 ↓
Mid Mid (pH 6-8) 2.57 13.05 -74.73 1 7 1 77 498.6 9 ↓

Activity (Go SEA)

Rings

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

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