UCSF

ZINC40769249

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-[(1S)-1-methyl-2-pyrazol-1-yl-ethyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(1S)-1-me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.70 9.34 -109.63 3 4 0 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.70 8.44 -3.74 2 4 0 34 291.463 5 ↓
Hi High (pH 8-9.5) 2.70 8.97 -31.1 2 4 1 38 291.463 5 ↓

Activity (Go SEA)

Rings

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

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