UCSF

ZINC49410018

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 27 Yes

Popular Name: 6-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-pyridyl)-4H-isothiazolo[4,5-d]pyrimidine-5,7-dione 6-[(1R)-1-(4-methoxyphenyl)ethyl…

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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) 2.92 5.09 -46.9 0 7 -1 93 379.421 4 ↓
Lo Low (pH 4.5-6) 2.46 7.07 -9.89 1 7 0 90 380.429 4 ↓

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

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