UCSF

ZINC67459819

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Popular Name: 6-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)pyrimidin-4-amine 6-(3-phenyl-6,7-dihydro-4H-isoxa…

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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) 1.83 7.58 -12.04 2 6 0 81 293.33 2 ↓
Lo Low (pH 4.5-6) 1.83 8.05 -42.12 3 6 1 82 294.338 2 ↓
Lo Low (pH 4.5-6) 1.83 7.98 -42.26 3 6 1 82 294.338 2 ↓

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

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