UCSF

ZINC69970008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 Yes

Popular Name: [6-(cyclopropylamino)-3-pyridyl]-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanon [6-(cyclopropylamino)-3-pyridyl]…

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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) 0.88 5.66 -34.8 3 7 1 84 339.423 5 ↓
Mid Mid (pH 6-8) 0.88 5.54 -13.35 2 7 0 83 338.415 5 ↓
Mid Mid (pH 6-8) 0.88 5.72 -35.33 3 7 1 84 339.423 5 ↓
Lo Low (pH 4.5-6) 0.88 6.19 -91.99 4 7 2 86 340.431 5 ↓

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Rings

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

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