UCSF

ZINC71501057

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 29 No

Popular Name: 2-(6-isopropoxy-1-oxo-2-isoquinolyl)-N-(p-tolylsulfonyl)acetamide 2-(6-isopropoxy-1-oxo-2-isoquino…

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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) 2.88 5.69 -62.55 0 7 -1 101 413.475 6 ↓
Lo Low (pH 4.5-6) 2.69 7.51 -24.86 1 7 0 94 414.483 6 ↓

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

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