UCSF

ZINC00052930

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: [(3-cyano-6-methylpyridin-2-yl)thio]acetic acid [(3-cyano-6-methylpyridin-2-yl)t…

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CAS Number:

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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) 0.64 4.74 -51.62 0 4 -1 77 207.234 3 ↓
Lo Low (pH 4.5-6) 0.64 4.96 -55.7 1 4 0 78 208.242 3 ↓

Activity (Go SEA)

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