UCSF

ZINC06197273

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 37 No

Popular Name: 2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-(ethylsulfanyl)ethyl 7-(3,4-di…

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Other Names:

MFCD02732058

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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) 5.99 1.4 -11.91 0 6 0 74 521.679 10 ↓
Mid Mid (pH 6-8) 5.99 1.13 -15.98 0 6 0 74 521.679 10 ↓
Mid Mid (pH 6-8) 6.17 0.2 -13.9 0 6 0 74 521.679 10 ↓

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

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