UCSF

ZINC49537608

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 Yes

Popular Name: 2-[(E)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyleneamino]-5,5,7,7-tetramethyl-4,6-dihydr 2-[(E)-(6,7-dimethoxy-3,4-dihydr…

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) -0.07 12 -103.41 3 6 2 74 440.613 4 ↓
Hi High (pH 8-9.5) -0.07 11.06 -48.08 2 6 1 69 439.605 4 ↓

Activity (Go SEA)

Rings

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

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