UCSF

ZINC49409852

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 31 Yes

Popular Name: 6-butyl-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-butyl-3-[4-(3-methoxyphenyl)pi…

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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) 4.06 4.64 -50.62 0 9 -1 104 442.521 6 ↓
Lo Low (pH 4.5-6) 3.60 6.52 -13.55 1 9 0 101 443.529 6 ↓

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

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