UCSF

ZINC49409805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 30 Yes

Popular Name: 3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-6-ethyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-[4-(2-ethoxyphenyl)piperazine-…

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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) 3.35 4.55 -47.7 0 9 -1 104 428.494 5 ↓
Lo Low (pH 4.5-6) 2.90 6.44 -10.52 1 9 0 101 429.502 5 ↓

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

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