UCSF

ZINC19366985

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 Yes

Popular Name: (1-Aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine (1-Aza-bicyclo[2.2.2]oct-3-yl)-(…

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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) 2.18 6.13 -36.26 2 3 1 26 247.362 4 ↓
Lo Low (pH 4.5-6) 2.18 7.29 -115.14 3 3 2 30 248.37 4 ↓

Activity (Go SEA)

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