UCSF

ZINC66639250

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 25 No

Popular Name: 4-(4-ethylphenyl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-oxo-butanamide 4-(4-ethylphenyl)-N-[(4-isopropy…

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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) 1.77 9.45 -14.4 2 6 0 80 360.483 8 ↓
Mid Mid (pH 6-8) 2.50 9.26 -44.58 1 6 -1 77 359.475 8 ↓

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

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