UCSF

ZINC05140186

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 14 No

Popular Name: (2-(2-Pyridyl)ethyl)diethylmethylammonium; 2-Pyridineethanaminium, N,N-diethyl-N-methyl-, iodide; Ammonium, diethylmethyl(2-(2-pyridyl)ethyl)-, iodide; Diethylmethyl(2-(2-pyridyl)ethyl)ammonium iodide; LS-17584 (2-(2-Pyridyl)ethyl)diethylmethy…

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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) -2.25 8.11 -29.93 0 2 1 13 193.314 5 ↓
Lo Low (pH 4.5-6) -2.25 8.39 -88.29 1 2 2 14 194.322 5 ↓

Activity (Go SEA)

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