UCSF

ZINC69662206

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 22 Yes

Popular Name: [4-(2,1-benzothiazol-3-yl)piperazin-1-yl]-(3-thienyl)methanone [4-(2,1-benzothiazol-3-yl)pipera…

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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) 2.64 7.72 -11.78 0 4 0 36 329.45 2 ↓

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Rings

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

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