UCSF

ZINC08441784

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 34 No

Popular Name: ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate ethyl 4-{5-[(2-bromophenoxy)meth…

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Other Names:

MFCD03074665

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Annotations

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Vendors

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) 6.50 0.84 -10.58 2 0 0 64 524.455 5 ↓
Mid Mid (pH 6-8) 6.68 -0.23 -13.04 0 5 0 64 524.455 7 ↓
Mid Mid (pH 6-8) 6.50 0.64 -13.83 0 5 0 64 524.455 7 ↓

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