UCSF

ZINC08766563

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 28 No

Popular Name: 5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-6-hydroxy-3-(4-methoxyphenyl)-pyrimidine-2,4-dion 5-[(3-chloro-4-hydroxy-5-methoxy…

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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) 2.32 1.46 -45.23 1 8 -1 114 401.782 4 ↓
Ref Reference (pH 7) 2.32 1.57 -44.75 1 8 -1 114 401.782 4 ↓
Hi High (pH 8-9.5) 2.32 2.38 -100.92 0 8 -2 117 400.774 4 ↓
Mid Mid (pH 6-8) 2.32 3.17 -100.97 0 8 -2 117 400.774 4 ↓
Lo Low (pH 4.5-6) 1.87 4.15 -14.04 2 8 0 111 402.79 4 ↓

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