UCSF

ZINC04693657

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 30 Yes

Popular Name: ethyl 4-[4-methoxy-3-(methoxymethyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate ethyl 4-[4-methoxy-3-(methoxymet…

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Other Names:

MFCD02244120

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) 4.40 2.17 -15.62 0 6 0 74 413.514 7 ↓
Mid Mid (pH 6-8) 4.40 4.53 -10.28 0 6 0 74 413.514 7 ↓
Mid Mid (pH 6-8) 4.56 5.48 -30.09 0 6 0 74 413.514 7 ↓

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

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