UCSF

ZINC22671871

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 37 Yes

Popular Name: [(1S)-2-[4-[[5-[(4-methylsulfanylphenyl)methoxy]-4-oxo-pyran-2-yl]methyl]piperazin-1-yl]-2-oxo-1-phe [(1S)-2-[4-[[5-[(4-methylsulfany…

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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) 2.75 13.11 -24.13 0 8 0 89 522.623 10 ↓
Mid Mid (pH 6-8) 2.75 15.38 -71.06 1 8 1 90 523.631 10 ↓

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Rings

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

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