UCSF

ZINC49409821

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 22 No

Popular Name: 6-isopropyl-3-(thiomorpholine-4-carbonyl)-4H-isothiazolo[4,3-d]pyrimidine-5,7-dione 6-isopropyl-3-(thiomorpholine-4-…

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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) 2.13 2.52 -39.23 0 7 -1 91 339.422 2 ↓
Lo Low (pH 4.5-6) 1.67 4.17 -9.88 1 7 0 88 340.43 2 ↓

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

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