UCSF

ZINC69670020

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 Yes

Popular Name: (1R,5S)-8-[(1S)-2-cyclopropyl-1-methyl-ethyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1S)-2-cyclopropyl-1-…

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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) 1.46 5.63 -101.6 4 2 2 32 210.365 3 ↓
Mid Mid (pH 6-8) 1.46 3.53 -41.89 3 2 1 31 209.357 3 ↓
Mid Mid (pH 6-8) 1.46 5.31 -27.58 3 2 1 30 209.357 3 ↓

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

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