UCSF

ZINC52543773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 Yes

Popular Name: N-[[4-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]thiazol-2-yl]methyl]ethanamine N-[[4-[[(1S,4R)-5-azabicyclo[2.2…

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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) 1.47 6.54 -87.11 3 3 2 34 253.415 5 ↓
Hi High (pH 8-9.5) 1.47 2.77 -4.77 1 3 0 28 251.399 5 ↓
Hi High (pH 8-9.5) 1.47 5.17 -30.55 2 3 1 29 252.407 5 ↓

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

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