UCSF

ZINC40769071

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 Yes

Popular Name: (1R,5S)-7-isopropyl-N-(1,3,5-trimethylpyrazol-4-yl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(1,3,5-tri…

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) 3.48 8.3 -4.94 2 4 0 34 291.463 3 ↓
Mid Mid (pH 6-8) 3.48 8.43 -42.33 3 4 0 36 292.471 3 ↓

Activity (Go SEA)

Rings

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

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