UCSF

ZINC67954436

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: 5-[(3,4-dimethoxy-2-pyridyl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(3,4-dimethoxy-2-pyridyl)meth…

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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) 2.66 6.62 -13.29 0 6 0 61 369.396 5 ↓
Mid Mid (pH 6-8) 2.66 8.88 -41.96 1 6 1 62 370.404 5 ↓
Mid Mid (pH 6-8) 2.66 6.85 -49.01 1 6 1 62 370.404 5 ↓

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

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