UCSF

ZINC17720937

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 21 No

Popular Name: (2E,6E)-2,6-bis(2-pyridylmethylene)cyclohexan-1-one (2E,6E)-2,6-bis(2-pyridylmethyle…

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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) 2.27 10.23 -9.44 0 3 0 43 276.339 2 ↓
Lo Low (pH 4.5-6) 2.27 10.11 -79.77 2 3 2 45 278.355 2 ↓
Lo Low (pH 4.5-6) 2.27 10.17 -35.51 1 3 1 44 277.347 2 ↓

Activity (Go SEA)

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