UCSF

ZINC13727670

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 No

Popular Name: (5R)-5-(2,3-dimethoxyphenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl) (5R)-5-(2,3-dimethoxyphenyl)-4-(…

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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) 1.26 9.83 -74.1 1 9 0 111 482.562 9 ↓
Mid Mid (pH 6-8) 1.70 8.63 -36.26 1 9 0 107 482.562 8 ↓
Mid Mid (pH 6-8) 0.67 9.27 -32.78 0 9 0 104 482.562 9 ↓
Mid Mid (pH 6-8) 1.70 9.14 -62.65 2 9 1 108 483.57 8 ↓
Mid Mid (pH 6-8) 0.67 9.79 -64 1 9 1 105 483.57 9 ↓

Activity (Go SEA)

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