UCSF

ZINC19997576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 No

Popular Name: (5E)-1-(3-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(3-methoxyphenyl)-5-[(2-p…

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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) -0.62 1.54 -51.94 4 9 1 113 374.421 6 ↓
Ref Reference (pH 7) -0.62 1.54 -52.01 4 9 1 113 374.421 6 ↓
Hi High (pH 8-9.5) -0.62 0.17 -12.55 3 9 0 108 373.413 6 ↓
Hi High (pH 8-9.5) -0.62 0.18 -13.01 3 9 0 108 373.413 6 ↓

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Rings

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

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