UCSF

ZINC21533917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 Yes

Popular Name: 8-fluoro-2-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-1H-quinolin-4-one 8-fluoro-2-[[(4-methoxyphenyl)me…

Find On: PubMed — Wikipedia — Google

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) 2.49 7.12 -14.03 1 4 0 45 326.371 5 ↓
Mid Mid (pH 6-8) 3.79 9.19 -38.64 1 4 0 50 326.371 5 ↓
Mid Mid (pH 6-8) 2.49 9.52 -59.26 2 4 1 47 327.379 5 ↓

Activity (Go SEA)

Rings

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

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