UCSF

ZINC06197656

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 38 No

Popular Name: 2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)-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:

MFCD02732024

Download: MOL2 SDF SMILES Flexibase

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) 6.50 15.84 -21.02 1 6 0 74 535.706 11 ↓
Mid Mid (pH 6-8) 6.62 -0.19 -11.38 0 6 0 74 535.706 11 ↓

Activity (Go SEA)

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