UCSF

ZINC08441662

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

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

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Other Names:

MFCD03074046

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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) 7.45 2.31 -8.43 2 0 0 64 522.085 5 ↓
Mid Mid (pH 6-8) 7.45 2.22 -11.46 0 5 0 64 522.085 7 ↓
Mid Mid (pH 6-8) 7.63 1.12 -9.58 0 5 0 64 522.085 7 ↓

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