UCSF

ZINC67248897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 24 Yes

Popular Name: (1R,5S)-7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-8-ylmethyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-cyclopropyl-N-(2,3-dih…

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) 3.07 8.78 -4.28 2 4 0 35 329.464 4 ↓
Mid Mid (pH 6-8) 3.07 9.89 -135.77 3 4 0 40 330.472 4 ↓
Mid Mid (pH 6-8) 3.07 9.59 -39.14 2 4 1 38 329.464 4 ↓

Activity (Go SEA)

Rings

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

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