UCSF

ZINC33755346

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 24 Yes

Popular Name: 6-(2-(Diethylamino)ethyl)-3-methyl-4-phenylisoxazolo(3,4-a)pyridazin-7(6H)-one; BRN 1023732; Isoxazolo(3,4-a)pyridazin-7(6H)-one, 6-(2-(diethylamino)ethyl)-3-methyl-4-phenyl-; LS-86786 6-(2-(Diethylamino)ethyl)-3-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) 2.51 8.41 -38.02 1 6 1 65 327.408 6 ↓
Hi High (pH 8-9.5) 2.51 6.26 -12.46 0 6 0 64 326.4 6 ↓

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