UCSF

ZINC09375275

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 No

Popular Name: 4-(2,4-dimethylthiazol-5-yl)carbonyl-3-hydroxy-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyr 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) 1.28 7.99 -45.9 0 9 -1 114 494.549 8 ↓
Mid Mid (pH 6-8) 1.72 6.85 -27.8 1 9 0 111 495.557 7 ↓
Mid Mid (pH 6-8) 0.69 -0.69 -29.78 0 9 0 107 495.557 8 ↓
Lo Low (pH 4.5-6) 1.72 7.13 -56.89 2 9 1 112 496.565 7 ↓
Lo Low (pH 4.5-6) 0.69 -0.58 -65.61 1 9 1 109 496.565 8 ↓

Activity (Go SEA)

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