UCSF

ZINC48986045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 28 Yes

Popular Name: 2-(8-fluoro-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)-N-(p-tolylmethyl)acetamide 2-(8-fluoro-10-oxo-1,3,4,5-tetra…

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) 1.51 7.31 -26.21 2 5 0 65 379.435 4 ↓
Mid Mid (pH 6-8) 2.81 8.19 -54.3 2 5 0 69 379.435 4 ↓
Mid Mid (pH 6-8) 1.51 9.54 -60.4 3 5 1 66 380.443 4 ↓

Activity (Go SEA)

Rings

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

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