UCSF

ZINC04060771

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 32 No

Popular Name: butyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate butyl 4-(4-ethoxy-3-methoxypheny…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00752931

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) 5.54 1.72 -10.27 0 6 0 74 441.568 9 ↓
Mid Mid (pH 6-8) 5.72 0.88 -10.74 0 6 0 74 441.568 9 ↓
Mid Mid (pH 6-8) 5.54 1.98 -13.23 0 6 0 74 441.568 9 ↓

Activity (Go SEA)

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