UCSF

ZINC04067391

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 34 No

Popular Name: 2-phenoxyethyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(3-ethoxy-4-hyd…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01367236

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) 4.78 10.91 -30.38 2 7 0 94 463.53 9 ↓
Mid Mid (pH 6-8) 4.90 -2.88 -13.11 1 7 0 94 463.53 9 ↓

Activity (Go SEA)

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