UCSF

ZINC49409392

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 Yes

Popular Name: 6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxamid 6-[2-[4-(2-fluorophenyl)piperazi…

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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) 0.39 5.07 -22.06 2 9 0 114 416.438 4 ↓

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

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