UCSF

ZINC70006776

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 24 Yes

Popular Name: 4-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl]benzamide 4-[3-(ethylamino)-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) 0.37 2.89 -22.36 3 7 0 101 325.372 4 ↓
Mid Mid (pH 6-8) 0.37 3.01 -46.92 4 7 1 102 326.38 4 ↓
Mid Mid (pH 6-8) 0.37 3.06 -47.99 4 7 1 102 326.38 4 ↓

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Rings

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

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