UCSF

ZINC65505003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Popular Name: (1R,6S)-4-[(2-chloro-3,4-dimethoxy-phenyl)methyl]-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-4-[(2-chloro-3,4-dimetho…

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) 2.48 6.26 -38.42 2 4 1 35 311.833 4 ↓
Lo Low (pH 4.5-6) 2.48 7.47 -109.49 3 4 2 40 312.841 4 ↓
Lo Low (pH 4.5-6) 2.48 5.69 -34.75 2 4 1 38 311.833 4 ↓

Activity (Go SEA)

Rings

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

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