UCSF

ZINC38733825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 31 Yes

Popular Name: 1-(m-tolyl)-3-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1,8-naphthyridin-2-one 1-(m-tolyl)-3-[[4-(4-pyridyl)pip…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.02 11 -44.86 1 6 1 56 412.517 4 ↓
Mid Mid (pH 6-8) 3.02 13.22 -100.39 2 6 2 57 413.525 4 ↓

Activity (Go SEA)

Rings

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

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