UCSF

ZINC52830853

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 Yes

Popular Name: N-[2-(4-pyridyl)ethyl]pyridazin-3-amine N-[2-(4-pyridyl)ethyl]pyridazin-…

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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) 0.71 4.34 -34.49 2 4 1 52 201.253 4 ↓
Mid Mid (pH 6-8) 0.71 4.34 -36.22 2 4 1 52 201.253 4 ↓
Mid Mid (pH 6-8) 0.71 4.17 -10.26 1 4 0 51 200.245 4 ↓
Lo Low (pH 4.5-6) 0.71 4.8 -80.49 3 4 2 53 202.261 4 ↓

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Rings

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

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