UCSF

ZINC65603723

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 25 Yes

Popular Name: 3-[ethyl-[(3-methyl-7-oxo-4-phenyl-isoxazolo[3,4-d]pyridazin-6-yl)methyl]amino]propanenitrile 3-[ethyl-[(3-methyl-7-oxo-4-phen…

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Download: MOL2 SDF SMILES Flexibase

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) 1.58 6.56 -15.39 0 7 0 88 337.383 6 ↓
Mid Mid (pH 6-8) 1.58 8.64 -51.02 1 7 1 89 338.391 6 ↓

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

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