UCSF

ZINC53437362

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N-[(3-bromophenyl)methyl]-N-methyl-N'-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-[(3-bromophenyl)methyl]-N-meth…

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) 2.34 6.77 -38.1 2 3 1 26 328.274 7 ↓
Hi High (pH 8-9.5) 2.34 4.43 -3.34 1 3 0 24 327.266 7 ↓
Mid Mid (pH 6-8) 2.34 5.78 -38.3 2 3 1 29 328.274 7 ↓
Lo Low (pH 4.5-6) 2.34 8.1 -118.85 3 3 2 30 329.282 7 ↓

Activity (Go SEA)

Rings

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

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