UCSF

ZINC37718606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 18 Yes

Popular Name: 6-[2-(3-pyridyl)ethylamino]pyridazine-3-carboxylic 6-[2-(3-pyridyl)ethylamino]pyrid…

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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) 0.60 4.67 -53.28 1 6 -1 91 243.246 5 ↓
Lo Low (pH 4.5-6) 0.60 5.31 -87.72 3 6 1 93 245.262 5 ↓
Lo Low (pH 4.5-6) 0.60 4.84 -45.81 2 6 0 92 244.254 5 ↓

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Rings

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

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