UCSF

ZINC67473065

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: [4-[[4-[[(5S)-1-azabicyclo[3.2.1]octan-5-yl]oxy]phenyl]methyl]-1,4-diazepan-1-yl]-cyclopropyl-methan [4-[[4-[[(5S)-1-azabicyclo[3.2.1…

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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) 2.77 11.85 -90.45 2 5 2 38 385.552 5 ↓
Hi High (pH 8-9.5) 2.77 9.16 -45.72 1 5 1 37 384.544 5 ↓
Hi High (pH 8-9.5) 2.77 7.32 -10.19 0 5 0 36 383.536 5 ↓
Hi High (pH 8-9.5) 2.77 10 -44.84 1 5 1 37 384.544 5 ↓

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Rings

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

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