UCSF

ZINC55000119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 Yes

Popular Name: [2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-ethyl-thiazol-5-yl]methanamine [2-[(1S,4R)-5-azabicyclo[2.2.1]h…

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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) 2.20 5.43 -45.4 3 3 1 44 238.38 3 ↓
Mid Mid (pH 6-8) 2.20 4.98 -6.79 2 3 0 42 237.372 3 ↓

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Rings

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

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