UCSF

ZINC49409879

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-isobutyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-isobutyl-3-(4-pyrimidin-2-ylpi…

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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) 2.43 5.24 -48.77 0 10 -1 120 414.471 4 ↓
Lo Low (pH 4.5-6) 1.97 7.28 -12.74 1 10 0 117 415.479 4 ↓

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

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