UCSF

ZINC49401705

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[7-oxo-3-(4-pyridyl)isothiazolo[4,5-d]pyrimidin-6-yl]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

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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) 2.52 8.84 -23.91 1 7 0 90 411.874 4 ↓
Lo Low (pH 4.5-6) 2.52 9.3 -53.94 2 7 1 91 412.882 4 ↓

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

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