UCSF

ZINC06197206

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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Other Names:

MFCD02231456

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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) 5.06 -1.06 -13.35 1 7 0 94 523.651 10 ↓
Mid Mid (pH 6-8) 5.06 -1.16 -16.76 1 7 0 94 523.651 10 ↓
Mid Mid (pH 6-8) 5.24 -2.25 -14.49 1 7 0 94 523.651 10 ↓

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

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