UCSF

ZINC09375212

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

Popular Name: 4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-1-(3-imidazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)- 4-(2,4-dimethylthiazol-5-yl)carb…

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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) 1.07 9.7 -46.06 0 10 -1 119 511.58 10 ↓
Mid Mid (pH 6-8) 0.48 0.05 -33.97 0 10 0 112 512.588 10 ↓
Mid Mid (pH 6-8) 0.48 0.33 -61.91 1 10 1 114 513.596 10 ↓
Mid Mid (pH 6-8) 1.51 8.86 -29.77 1 10 0 116 512.588 9 ↓
Mid Mid (pH 6-8) 1.51 9.38 -54.02 2 10 1 117 513.596 9 ↓
Mid Mid (pH 6-8) 1.07 10.19 -55.57 1 10 0 120 512.588 10 ↓
Lo Low (pH 4.5-6) 1.07 9.15 -59.72 2 10 1 117 513.596 10 ↓

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