UCSF

ZINC65171015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 31 Yes

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

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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) 1.20 6.48 -23.17 1 9 0 108 437.481 6 ↓
Lo Low (pH 4.5-6) 1.20 6.94 -53.78 2 9 1 109 438.489 6 ↓

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

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