UCSF

ZINC61320819

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 21 Yes

Popular Name: (1R,5S)-7-isopropyl-N-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-[(5-methyl…

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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) 2.45 6.45 -78.2 2 4 0 42 289.447 4 ↓
Mid Mid (pH 6-8) 2.45 7.1 -39.81 2 4 1 46 289.447 4 ↓
Mid Mid (pH 6-8) 2.45 7.34 -127.53 3 4 0 47 290.455 4 ↓

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

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