UCSF

ZINC65508775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 Yes

Popular Name: 4-[[3-[[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]methyl]phenyl]methyl]morpholine 4-[[3-[[(1R,6S)-4,9-diazabicyclo…

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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) 1.66 5.53 -36.9 2 4 1 29 316.469 4 ↓
Lo Low (pH 4.5-6) 1.66 7.24 -88.26 3 4 2 34 317.477 4 ↓
Lo Low (pH 4.5-6) 1.66 6.73 -112.6 3 4 2 34 317.477 4 ↓
Lo Low (pH 4.5-6) 1.66 7.78 -94.05 3 4 2 30 317.477 4 ↓

Activity (Go SEA)

Rings

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

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