UCSF

ZINC52857242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 Yes

Popular Name: [2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-chloro-phenyl]methanamine [2-[(1S,4R)-5-azabicyclo[2.2.1]h…

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) 2.72 6.76 -45.39 3 2 1 31 237.754 2 ↓
Hi High (pH 8-9.5) 2.72 6.3 -1.41 2 2 0 29 236.746 2 ↓

Activity (Go SEA)

Rings

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

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