UCSF

ZINC65578615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 Yes

Popular Name: 3,4-dimethyl-6-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]isoxazolo[3,4-d]pyridazin-7-one 3,4-dimethyl-6-[[methyl-[2-(3-me…

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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) 2.40 8.19 -41.88 1 7 1 75 343.407 6 ↓
Mid Mid (pH 6-8) 2.40 5.69 -17.05 0 7 0 73 342.399 6 ↓

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

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