UCSF

ZINC02807471

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 30 No

Popular Name: (5E)-5-(3-chloro-5-methoxy-4-p-anisoyloxy-benzylidene)-2,6-diketo-pyrimidin-4-olate (5E)-5-(3-chloro-5-methoxy-4-p-a…

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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) 3.07 3.4 -45.24 1 9 -1 131 429.792 6 ↓
Mid Mid (pH 6-8) 3.07 3.4 -44.51 1 9 -1 131 429.792 6 ↓
Mid Mid (pH 6-8) 2.61 5.17 -17.09 2 9 0 128 430.8 6 ↓

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

No pre-computed analogs available. Try a structural similarity search.