UCSF

ZINC67975165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 No

Popular Name: N-[4-[[(4R)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]ace N-[4-[[(4R)-4-(2-methylsulfanyle…

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) 1.84 7.78 -41.58 3 5 1 62 345.492 6 ↓
Hi High (pH 8-9.5) 1.84 9.24 -45.5 3 5 1 62 345.492 6 ↓
Hi High (pH 8-9.5) 1.84 7.32 -14.35 2 5 0 61 344.484 6 ↓
Mid Mid (pH 6-8) 1.84 9.7 -109.79 4 5 2 63 346.5 6 ↓

Activity (Go SEA)

Rings

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

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