UCSF

ZINC49401729

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.61 8.38 -22.07 1 7 0 90 425.901 4 ↓
Lo Low (pH 4.5-6) 2.61 8.84 -51.96 2 7 1 91 426.909 4 ↓

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

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