UCSF

ZINC69843049

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: (1R,5S)-3-[(2S)-azepan-2-yl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-3-[(2S)-azepan-2-yl]-8-a…

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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) 1.49 1.72 -96.62 5 3 2 53 226.364 1 ↓
Hi High (pH 8-9.5) 1.49 0.56 -42.83 4 3 1 49 225.356 1 ↓

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

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