UCSF

ZINC49629552

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 21 Yes

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[2-(4-pyridyl)ethyl]pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-[2-(4-p…

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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) -0.61 3.37 -57.56 4 5 1 83 281.339 4 ↓
Mid Mid (pH 6-8) -0.61 2.96 -13.42 3 5 0 81 280.331 4 ↓
Lo Low (pH 4.5-6) -0.61 3.82 -92.76 5 5 2 84 282.347 4 ↓

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

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