UCSF

ZINC52920432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 20 Yes

Popular Name: (1R,5S)-8-[(4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(4-propoxyphenyl)meth…

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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) 2.32 7.96 -30.64 3 3 1 40 275.416 5 ↓
Mid Mid (pH 6-8) 2.32 5.78 -42.59 3 3 1 40 275.416 5 ↓
Lo Low (pH 4.5-6) 2.32 7.96 -108.61 4 3 2 41 276.424 5 ↓

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

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