UCSF

ZINC04062913

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 29 No

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

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Other Names:

MFCD00771123

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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) 3.38 -1.81 -10.21 0 7 0 83 464.312 6 ↓
Mid Mid (pH 6-8) 3.38 -1.71 -13.67 0 7 0 83 464.312 6 ↓
Mid Mid (pH 6-8) 3.56 -0.49 -12.18 0 7 0 83 464.312 6 ↓
Mid Mid (pH 6-8) 3.56 -1.74 -11.02 0 7 0 83 464.312 6 ↓

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