UCSF

ZINC65164049

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 21 Yes

Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-tert-butylphenyl)methanone [(3aR)-3a,4,6,7-tetrahydroimidaz…

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 8.83 -42.24 2 4 1 50 284.383 2 ↓
Mid Mid (pH 6-8) 2.52 8.36 -10.69 1 4 0 49 283.375 2 ↓
Mid Mid (pH 6-8) 2.52 8.81 -42.14 2 4 1 50 284.383 2 ↓

Activity (Go SEA)

Rings

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

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