UCSF

ZINC62570053

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 15 Yes

Popular Name: (1R,5S)-3-(azepan-1-yl)-8-azabicyclo[3.2.1]octane (1R,5S)-3-(azepan-1-yl)-8-azabic…

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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) 2.31 6.6 -33.06 2 2 1 20 209.357 1 ↓
Mid Mid (pH 6-8) 2.31 6.7 -95 3 2 2 21 210.365 1 ↓
Mid Mid (pH 6-8) 2.31 5.42 -27.9 2 2 1 16 209.357 1 ↓

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Rings

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

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