UCSF

ZINC67076800

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 25 No

Popular Name: (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]prop-2-enamide (E)-3-[4-(cyanomethoxy)phenyl]-N…

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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) 1.40 8.31 -27.81 2 7 0 96 357.439 8 ↓
Hi High (pH 8-9.5) 2.13 8.09 -59.33 1 7 -1 93 356.431 8 ↓

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

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