UCSF

ZINC38018983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 Yes

Popular Name: 4-[[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methylamino]methyl]benzene-1,3-diol 4-[[[(1S,5R)-8-methyl-8-azabicyc…

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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) 2.11 3.06 -101.72 5 4 2 61 278.396 4 ↓
Hi High (pH 8-9.5) 2.11 3.82 -80.76 4 4 1 64 277.388 4 ↓

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Rings

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

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