UCSF

ZINC69779955

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 Yes

Popular Name: [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(3-methylisoxazol-5-yl)methanone [3-(methylamino)-7,8-dihydro-5H-…

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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) 0.59 3.32 -32.68 2 7 1 85 274.304 2 ↓
Mid Mid (pH 6-8) 0.59 3.38 -32.42 2 7 1 85 274.304 2 ↓
Mid Mid (pH 6-8) 0.59 3.2 -11.45 1 7 0 84 273.296 2 ↓

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

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