UCSF

ZINC20901059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 Yes

Popular Name: [4-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-isothiazol-3-yl]piperazin-1-yl]-(2-furyl)methanone [4-[5-(3-chlorophenyl)-4-methyl-…

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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) 2.73 6.22 -23.86 0 7 0 83 419.89 3 ↓

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Rings

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

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