UCSF

ZINC33755343

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Substance Information

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

Popular Name: 6-(2-(Dimethylamino)ethyl)-3,4-dimethylisoxazolo(3,4-d)pyridazin-7(6H)-one; BRN 0988079; Isoxazolo(3,4-d)pyridazin-7(6H)-one, 6-(2-(dimethylamino)ethyl)-3,4-dimethyl-; LS-86788 6-(2-(Dimethylamino)ethyl)-3,4-d…

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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) 0.31 4.36 -43.38 1 6 1 65 237.283 3 ↓
Hi High (pH 8-9.5) 0.31 1.91 -15.44 0 6 0 64 236.275 3 ↓

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