UCSF

ZINC22658879

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 35 Yes

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one 5-[(4-tert-butylphenyl)methoxy]-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.39 10.55 -20.54 0 7 0 76 496.007 7 ↓
Mid Mid (pH 6-8) 3.39 12.82 -70.44 1 7 1 77 497.015 7 ↓

Activity (Go SEA)

Rings

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

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