UCSF

ZINC39490397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 26 No

Popular Name: (3R)-5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[[(2R)-4-methyl-2H-imidazol-2-yl]methyl]-2,3-dihydro (3R)-5-[[benzyl(methyl)amino]met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.52 4.9 -46.27 2 7 1 71 356.45 7 ↓
Hi High (pH 8-9.5) 1.52 2.56 -11.92 1 7 0 70 355.442 7 ↓
Lo Low (pH 4.5-6) 1.52 5.92 -85.94 3 7 2 72 357.458 7 ↓

Activity (Go SEA)

Rings

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

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