UCSF

ZINC02091175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 38 Yes

Popular Name: [(1R)-1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(o-tolyl)methanone [(1R)-1-(3,4-diethoxybenzyl)-6,7…

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) 5.46 14.37 -10.99 0 6 0 57 517.666 11 ↓

Activity (Go SEA)

Rings

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

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