UCSF

ZINC49410000

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 25 Yes

Popular Name: 6-(o-tolylmethyl)-3-(2-pyridyl)-4H-isothiazolo[4,5-d]pyrimidine-5,7-dione 6-(o-tolylmethyl)-3-(2-pyridyl)-…

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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) 2.90 5.96 -47.95 0 6 -1 84 349.395 3 ↓
Lo Low (pH 4.5-6) 2.90 6.43 -37.93 1 6 0 85 350.403 3 ↓

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

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