UCSF

ZINC08442281

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 40 No

Popular Name: 6-bromo-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(3-ethoxyphenyl)-4-quinolinecarboxamide 6-bromo-N-(4-{[(3,4-dimethyl-5-i…

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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) 6.12 -4.89 -21.07 2 9 0 123 621.513 8 ↓
Hi High (pH 8-9.5) 6.12 -5.03 -49.96 1 9 -1 125 620.505 8 ↓

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

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