UCSF

ZINC67974838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 Yes

Popular Name: (4S)-4-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4S)-4-(4-methylsulfonylphenyl)-…

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) 0.65 2.55 -45.28 3 5 1 76 278.357 2 ↓
Mid Mid (pH 6-8) 0.65 2.08 -15.2 2 5 0 75 277.349 2 ↓

Activity (Go SEA)

Rings

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

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