UCSF

ZINC37718605

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: 2-chloro-6-[2-(3-pyridyl)ethylamino]pyridine-4-carboxylic 2-chloro-6-[2-(3-pyridyl)ethylam…

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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) 2.35 6.17 -45.53 1 5 -1 78 276.703 5 ↓
Lo Low (pH 4.5-6) 2.35 6.64 -61.08 2 5 0 79 277.711 5 ↓

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Rings

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

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