UCSF

ZINC67975536

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 22 Yes

Popular Name: 4-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine 4-(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) 1.80 8.69 -42.18 3 6 1 82 294.338 2 ↓
Hi High (pH 8-9.5) 1.80 8.19 -12.56 2 6 0 81 293.33 2 ↓
Mid Mid (pH 6-8) 1.80 8.6 -40.33 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.