UCSF

ZINC65553576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 25 Yes

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

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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) 2.30 8.31 -34.34 1 6 1 65 349.361 5 ↓
Mid Mid (pH 6-8) 2.30 6.23 -17.21 0 6 0 64 348.353 5 ↓

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

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