UCSF

ZINC38019194

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 Yes

Popular Name: (1S)-1-(3-bromo-2-thienyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]ethanamine (1S)-1-(3-bromo-2-thienyl)-N-[[(…

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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) 3.87 8.63 -94.34 3 2 2 21 345.35 4 ↓
Hi High (pH 8-9.5) 3.87 7.78 -32.78 2 2 1 16 344.342 4 ↓

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

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