UCSF

ZINC67473503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 No

Popular Name: 3-[2-[(4R)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzoxa 3-[2-[(4R)-4-(2-methylsulfanylet…

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) 2.16 9.58 -46.3 2 6 1 68 359.475 6 ↓
Mid Mid (pH 6-8) 2.16 9.07 -15.36 1 6 0 67 358.467 6 ↓
Lo Low (pH 4.5-6) 2.16 10.71 -53.22 2 6 1 68 359.475 6 ↓

Activity (Go SEA)

Rings

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

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