UCSF

ZINC11820846

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 Yes

Popular Name: [(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-[4-[[1-(2-pyridylmethyl)-4-piperidyl]oxy]phenyl]methanone [(1R,5S)-6-azabicyclo[3.2.1]octa…

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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) 3.17 -0.06 -51.14 1 5 1 47 406.55 5 ↓
Lo Low (pH 4.5-6) 3.17 0 -125.11 2 5 2 48 407.558 5 ↓

Activity (Go SEA)

Rings

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

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