UCSF

ZINC04066030

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 32 No

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

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Other Names:

MFCD00753031

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) 5.90 1.31 -9.95 0 6 0 74 441.568 11 ↓
Mid Mid (pH 6-8) 6.08 0.04 -11.65 0 6 0 74 441.568 11 ↓
Mid Mid (pH 6-8) 5.90 0.95 -14.13 0 6 0 74 441.568 11 ↓

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