UCSF

ZINC65508268

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 20 Yes

Popular Name: (1R,6S)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-4-[(6-chloro-1,3-benzodi…

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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) 2.53 5.65 -37.05 2 4 1 35 295.79 2 ↓
Lo Low (pH 4.5-6) 2.53 6.85 -108.68 3 4 2 40 296.798 2 ↓
Lo Low (pH 4.5-6) 2.53 5.17 -34.25 2 4 1 38 295.79 2 ↓

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

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