UCSF

ZINC39339602

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 No

Popular Name: 2-[2-[2-(2-pyridyl)ethylsulfanyl]ethyl]pyridine 2-[2-[2-(2-pyridyl)ethylsulfanyl…

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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) 2.10 8.32 -6.94 0 2 0 26 244.363 6 ↓
Lo Low (pH 4.5-6) 2.10 8.66 -32.63 1 2 1 27 245.371 6 ↓
Lo Low (pH 4.5-6) 2.10 9.01 -73.44 2 2 2 28 246.379 6 ↓

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