UCSF

ZINC63005742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: 3,5-difluoro-4-(methylamino)-N-[2-(4-pyridyl)ethyl]benzamide 3,5-difluoro-4-(methylamino)-N-[…

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) 1.69 4.5 -11.33 2 4 0 54 291.301 5 ↓
Lo Low (pH 4.5-6) 1.69 4.96 -40.33 3 4 1 55 292.309 5 ↓

Activity (Go SEA)

Rings

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

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