UCSF

ZINC20122062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Popular Name: (1R)-N'-[(2,4-difluorophenyl)methyl]-1-(2-furyl)-N,N-dimethyl-ethane-1,2-diamine (1R)-N'-[(2,4-difluorophenyl)met…

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) 2.62 7.28 -34.72 2 3 1 30 281.326 6 ↓
Hi High (pH 8-9.5) 2.62 5.09 -4.18 1 3 0 28 280.318 6 ↓
Lo Low (pH 4.5-6) 2.62 8.34 -119.81 3 3 2 34 282.334 6 ↓
Lo Low (pH 4.5-6) 2.62 6.45 -42.82 2 3 1 33 281.326 6 ↓

Activity (Go SEA)

Rings

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

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