UCSF

ZINC65164518

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 27 Yes

Popular Name: (3aR,4R)-N-(4-ethoxyphenyl)-4-(4-pyridyl)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (3aR,4R)-N-(4-ethoxyphenyl)-4-(4…

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) 2.52 7.85 -20.02 2 7 0 83 363.421 4 ↓
Mid Mid (pH 6-8) 2.52 8.32 -48.69 3 7 1 84 364.429 4 ↓
Lo Low (pH 4.5-6) 2.52 8.79 -98.46 4 7 2 86 365.437 4 ↓

Activity (Go SEA)

Rings

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

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