UCSF

ZINC00708021

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 37 No

Popular Name: isobutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate isobutyl 4-(6-bromo-1,3-benzodio…

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Other Names:

MFCD01572220

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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) 6.33 -0.04 -12.38 0 7 0 83 568.464 7 ↓
Mid Mid (pH 6-8) 6.51 0.01 -13.43 0 7 0 83 568.464 7 ↓
Mid Mid (pH 6-8) 6.51 1.13 -16.65 0 7 0 83 568.464 7 ↓
Mid Mid (pH 6-8) 6.33 -0.25 -14.94 0 7 0 83 568.464 7 ↓

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