UCSF

ZINC69569642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 22 Yes

Popular Name: 4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(1-methylpyrazol-4-yl)thiazole 4-[(1-methyl-6,7-dihydro-4H-imid…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.34 6.83 -33.73 1 6 1 53 315.426 3 ↓
Hi High (pH 8-9.5) 0.34 6.37 -17.19 0 6 0 52 314.418 3 ↓
Mid Mid (pH 6-8) 0.34 9.08 -96.74 2 6 2 54 316.434 3 ↓

Activity (Go SEA)

Rings

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

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