UCSF

ZINC69967467

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 26 Yes

Popular Name: [3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-pyrazol-1-ylphenyl)methanone [3-(ethylamino)-7,8-dihydro-5H-p…

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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) 1.44 7.85 -20.07 1 7 0 76 348.41 4 ↓
Mid Mid (pH 6-8) 1.44 7.97 -37.22 2 7 1 77 349.418 4 ↓
Mid Mid (pH 6-8) 1.44 8.02 -38.92 2 7 1 77 349.418 4 ↓

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Rings

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

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