UCSF

ZINC67935448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: 4-[[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-9-yl]methyl]-2-(3,4-dimethoxyphenyl)-5-methyl-oxazole 4-[[(1R,6S)-4,9-diazabicyclo[4.2…

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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) 2.00 4.97 -47.81 2 6 1 64 358.462 5 ↓
Hi High (pH 8-9.5) 2.00 4.23 -8.71 1 6 0 60 357.454 5 ↓
Lo Low (pH 4.5-6) 2.00 5.64 -35.98 2 6 1 61 358.462 5 ↓
Lo Low (pH 4.5-6) 2.00 6.34 -120.26 3 6 2 66 359.47 5 ↓

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Rings

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

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