UCSF

ZINC52816034

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[(1S)-1-(2-pyridyl)ethyl]pyridazin-3-amine N-[(1S)-1-(2-pyridyl)ethyl]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) 0.98 4.49 -29.74 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.98 4.47 -34.54 2 4 1 52 201.253 3 ↓
Mid Mid (pH 6-8) 0.98 4.31 -11.45 1 4 0 51 200.245 3 ↓
Lo Low (pH 4.5-6) 0.98 4.66 -85.68 3 4 2 53 202.261 3 ↓
Lo Low (pH 4.5-6) 0.98 4.64 -83.36 3 4 2 53 202.261 3 ↓

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

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