UCSF

ZINC67740764

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: 3-[[3-(1,3-benzodioxol-5-yl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxad 3-[[3-(1,3-benzodioxol-5-yl)-6,7…

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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) 0.69 0.58 -16.56 1 10 0 116 383.364 4 ↓
Mid Mid (pH 6-8) 0.69 2.81 -51.97 2 10 1 117 384.372 4 ↓

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

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