UCSF

ZINC63011317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 19 Yes

Popular Name: 2-fluoro-4-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]aniline 2-fluoro-4-[[methyl-[2-(4-pyridy…

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) 1.83 4.71 -6.06 2 3 0 42 259.328 5 ↓
Mid Mid (pH 6-8) 1.83 5.16 -35.23 3 3 1 43 260.336 5 ↓
Mid Mid (pH 6-8) 1.83 7.03 -46.68 3 3 1 43 260.336 5 ↓

Activity (Go SEA)

Rings

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

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