UCSF

ZINC65493996

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 Yes

Popular Name: (1R,6S)-4-(benzofuran-2-ylmethyl)-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-4-(benzofuran-2-ylmethyl…

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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) 2.60 7.14 -37.48 2 3 1 30 257.357 2 ↓
Lo Low (pH 4.5-6) 2.60 8.34 -112.51 3 3 2 34 258.365 2 ↓

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Rings

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

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