UCSF

ZINC17180750

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 No

Popular Name: (4E,5S)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(p-tolyl)methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyr (4E,5S)-5-(3,4-dimethoxyphenyl)-…

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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) 2.60 8.96 -57.19 0 8 -1 105 450.496 6 ↓
Mid Mid (pH 6-8) 3.05 8.08 -13.55 1 8 0 102 451.504 5 ↓
Mid Mid (pH 6-8) 2.02 9.19 -15.1 0 8 0 99 451.504 6 ↓

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