UCSF

ZINC49409998

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.51 5 -49.28 0 8 -1 102 409.447 5 ↓
Lo Low (pH 4.5-6) 2.05 6.98 -12.55 1 8 0 99 410.455 5 ↓

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

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