UCSF

ZINC70104600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 18 Yes

Popular Name: (1R,5S)-9-[(1S)-1-(cyclopropylmethyl)propyl]-N-methyl-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1S)-1-(cyclopropylme…

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) 3.41 8.07 -97.18 3 2 2 21 252.446 5 ↓
Mid Mid (pH 6-8) 3.41 6.85 -27.94 2 2 1 16 251.438 5 ↓
Mid Mid (pH 6-8) 3.41 6.23 -38.77 2 2 1 20 251.438 5 ↓

Activity (Go SEA)

Rings

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

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