UCSF

ZINC52409834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 27 Yes

Popular Name: N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridyl]methyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2 N-[[6-(3,4-dihydro-1H-isoquinoli…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.90 11.45 -47.02 2 6 1 60 377.497 4 ↓
Mid Mid (pH 6-8) 2.90 11.13 -13.07 1 6 0 58 376.489 4 ↓
Lo Low (pH 4.5-6) 2.90 11.93 -77.95 3 6 2 61 378.505 4 ↓

Activity (Go SEA)

Rings

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

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