UCSF

ZINC49409880

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.54 7.12 -46.72 0 8 -1 94 440.549 4 ↓
Mid Mid (pH 6-8) 4.54 7.11 -68.04 1 8 0 96 441.557 4 ↓
Lo Low (pH 4.5-6) 4.08 8.75 -51.17 2 8 1 93 442.565 4 ↓

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Rings

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

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