UCSF

ZINC04736569

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 27 No

Popular Name: 2-[5-(4,5-dihydrothiazol-2-ylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetam 2-[5-(4,5-dihydrothiazol-2-ylcar…

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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) 1.27 6.21 -26.13 2 8 0 101 404.521 6 ↓
Mid Mid (pH 6-8) 1.27 7.35 -45.17 3 8 1 103 405.529 6 ↓
Mid Mid (pH 6-8) 1.46 3.96 -25.83 2 8 0 105 404.521 6 ↓
Mid Mid (pH 6-8) 1.27 6.53 -25.8 2 8 0 101 404.521 6 ↓

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Rings

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