UCSF

ZINC67075770

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 26 No

Popular Name: (Z)-N-[2-(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide (Z)-N-[2-(4-ethyl-5-sulfanyl-1,2…

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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) 2.34 10.01 -22.16 2 5 0 63 384.427 7 ↓
Hi High (pH 8-9.5) 3.07 9.79 -54.69 1 5 -1 60 383.419 7 ↓

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

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