UCSF

ZINC13388399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 36 No

Popular Name: sec-butyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate sec-butyl 7-(3,4-dimethoxyphenyl…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02731941

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) 6.04 13 -11.09 0 6 0 74 493.575 8 ↓
Mid Mid (pH 6-8) 6.23 11.99 -13.11 0 6 0 74 493.575 8 ↓
Mid Mid (pH 6-8) 6.04 13.02 -14.91 0 6 0 74 493.575 8 ↓

Activity (Go SEA)

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

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