UCSF

ZINC65507185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: (1S,4R)-5-[2-[4-[1-(o-tolyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5-azabicyclo[2.2.1]hept (1S,4R)-5-[2-[4-[1-(o-tolyl)pyra…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.52 12.08 -37.72 1 4 1 26 363.529 5 ↓
Lo Low (pH 4.5-6) 3.52 14.35 -120.18 2 4 2 27 364.537 5 ↓

Activity (Go SEA)

Rings

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

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