UCSF

ZINC64971266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 34 Yes

Popular Name: (2R)-N-[2-[benzyl(methyl)amino]ethyl]-2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)p (2R)-N-[2-[benzyl(methyl)amino]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) 2.41 11.22 -54.02 2 8 1 86 459.574 8 ↓
Mid Mid (pH 6-8) 2.41 8.9 -18.01 1 8 0 85 458.566 8 ↓

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

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