UCSF

ZINC22664791

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[4-[4-[[5-[(4-methylsulfanylphenyl)methoxy]-4-oxo-pyran-2-yl]methyl]piperazine-1-carbonyl]phenyl]a N-[4-[4-[[5-[(4-methylsulfanylph…

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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) 1.55 9.6 -27.58 1 8 0 92 507.612 8 ↓
Mid Mid (pH 6-8) 1.55 11.88 -73.69 2 8 1 93 508.62 8 ↓

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

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