UCSF

ZINC49409769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 24 Yes

Popular Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 3-(3,4-dihydro-1H-isoquinoline-2…

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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) 2.39 2.88 -47.5 0 7 -1 91 341.372 1 ↓
Lo Low (pH 4.5-6) 1.94 4.77 -11.47 1 7 0 88 342.38 1 ↓

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

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