UCSF

ZINC67458022

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-N-(2-pyridylmethyl)acetamide 2-[3-(2-fluorophenyl)-6,7-dihydr…

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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) 2.06 5.8 -18.38 1 6 0 71 366.396 5 ↓
Mid Mid (pH 6-8) 2.06 7.98 -55.28 2 6 1 72 367.404 5 ↓
Lo Low (pH 4.5-6) 2.06 8.39 -110.09 3 6 2 74 368.412 5 ↓

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

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