UCSF

ZINC49409827

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 23 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.29 0.83 -47.38 0 8 -1 100 337.381 4 ↓
Lo Low (pH 4.5-6) 1.83 2.75 -10.93 1 8 0 97 338.389 4 ↓

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Rings

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

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