UCSF

ZINC69670008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 Yes

Popular Name: (1R,5S)-9-[(1R)-2-cyclopropyl-1-methyl-ethyl]-9-azabicyclo[3.3.1]nonan-7-amine (1R,5S)-9-[(1R)-2-cyclopropyl-1-…

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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) 1.96 6.33 -104.55 4 2 2 32 224.392 3 ↓
Mid Mid (pH 6-8) 1.96 6.02 -29.37 3 2 1 30 223.384 3 ↓
Mid Mid (pH 6-8) 1.96 4.44 -42.05 3 2 1 31 223.384 3 ↓

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Rings

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

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