UCSF

ZINC69997836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: (1R,5S)-3-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-3-[[1-(1-ethylpropyl)pyr…

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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) 2.54 6.17 -35.81 3 4 1 55 278.42 5 ↓
Lo Low (pH 4.5-6) 2.54 5.7 -85.49 4 4 2 56 279.428 5 ↓

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

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