UCSF

ZINC67755536

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 24 Yes

Popular Name: 4-[3-(2-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-6-methyl-pyrimidin-2-amine 4-[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) 2.36 9.38 -41.53 3 6 1 82 326.355 2 ↓
Hi High (pH 8-9.5) 2.36 9.46 -39.11 3 6 1 82 326.355 2 ↓
Mid Mid (pH 6-8) 2.36 9.02 -14.59 2 6 0 81 325.347 2 ↓

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

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