UCSF

ZINC05807046

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 Yes

Popular Name: butyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate butyl 4-(3-methoxy-4-propoxyphen…

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Other Names:

MFCD00753219

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.56 1.08 -11.34 0 6 0 74 427.541 10 ↓
Mid Mid (pH 6-8) 5.39 0.59 -17.59 0 6 0 74 427.541 10 ↓
Mid Mid (pH 6-8) 5.57 -0.37 -16.73 0 6 0 74 427.541 10 ↓

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

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