UCSF

ZINC04418295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 36 No

Popular Name: 2-(ethyloxy)ethyl 2-methyl-4-{3-(methyloxy)-4-[(phenylmethyl)oxy]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 2-(ethyloxy)ethyl 2-methyl-4-{3-…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00753161

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) 4.84 0.44 -13.1 0 7 0 83 491.584 11 ↓
Mid Mid (pH 6-8) 4.84 0.25 -16.58 0 7 0 83 491.584 11 ↓
Mid Mid (pH 6-8) 5.02 -0.66 -14.25 0 7 0 83 491.584 11 ↓

Activity (Go SEA)

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